User Information

• Synonyms (0)
• Vendors (2)
• Annotations (1)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (9)

ZINC42857997

• 42857997

Physical Representations

Activity (Go SEA)

• 19884676
  

  Analogs

  19884678

  

  19884679

  

  19884680

  

  19884682

  

  19884690

  

  Popular Name: (1R,2R)-2-tert-butyl-N-(cyclopropylmethyl)cyclohexan-1-amine (1R,2R)-2-tert-butyl-N-(cyclopro…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • UORSY Make-on-demand

    • PB334960152

  • PubChem

    • 43190643
    • 28430576

  • Enamine BB Make on Demand

    • BBV-120621

  • UORSY BB Make-on-demand

    • BBV-120621

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	4.44	9.08	-28.8	2	1	1	17	210.385	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19884676
• 20130750
  

  Analogs

  42856467

  

  42856470

  

  42856473

  

  42856474

  

  42856489

  

  Popular Name: (1R,3R)-N-(dicyclopropylmethyl)-3-methyl-cyclohexan-1-amine (1R,3R)-N-(dicyclopropylmethyl)-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43204104
    • 28660675

  • Enamine BB Make on Demand

    • BBV-32812987

  • UORSY BB Make-on-demand

    • BBV-32812987

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	3.74	8.64	-31.57	2	1	1	17	208.369	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC20130750
• 34995040
  

  Analogs

  42856467

  

  42856470

  

  42856473

  

  42856474

  

  42856489

  

  Popular Name: 2-cyclohexyl-N-cyclopropylcyclohexan-1-amine 2-cyclohexyl-N-cyclopropylcycloh…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 36991362

  • Molport

    • MolPort-011-237-766

  • Enamine

    • Z90517867

  • Enamine Building Blocks

    • EN300-93322

  • Mcule

    • MCULE-6456941875

  And 8 More

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	4.52	9.16	-32.28	2	1	1	17	222.396	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34995040
• 34995041
  

  Analogs

  42856467

  

  42856470

  

  42856473

  

  42856474

  

  42856489

  

  Popular Name: 2-cyclohexyl-N-cyclopropylcyclohexan-1-amine 2-cyclohexyl-N-cyclopropylcycloh…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 36991362

  • Molport

    • MolPort-011-237-766

  • Enamine

    • Z90517867

  • Enamine Building Blocks

    • EN300-93322

  • Mcule

    • MCULE-6456941875

  And 8 More

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	4.52	8.9	-33.87	2	1	1	17	222.396	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34995041
• 34995042
  

  Analogs

  42856467

  

  42856470

  

  42856473

  

  42856474

  

  42856489

  

  Popular Name: 2-cyclohexyl-N-cyclopropylcyclohexan-1-amine 2-cyclohexyl-N-cyclopropylcycloh…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 36991362

  • Molport

    • MolPort-011-237-766

  • Enamine

    • Z90517867

  • Enamine Building Blocks

    • EN300-93322

  • Mcule

    • MCULE-6456941875

  And 8 More

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	4.52	8.88	-33.73	2	1	1	17	222.396	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34995042
• 34995043
  

  Analogs

  42856467

  

  42856470

  

  42856473

  

  42856474

  

  42856489

  

  Popular Name: 2-cyclohexyl-N-cyclopropylcyclohexan-1-amine 2-cyclohexyl-N-cyclopropylcycloh…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 36991362

  • Molport

    • MolPort-011-237-766

  • Enamine

    • Z90517867

  • Enamine Building Blocks

    • EN300-93322

  • Mcule

    • MCULE-6456941875

  And 8 More

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	4.52	9.2	-32.06	2	1	1	17	222.396	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34995043
• 20130754
  

  Analogs

  42856467

  

  42856470

  

  42856473

  

  42856474

  

  42856489

  

  Popular Name: (1R,3S)-N-(dicyclopropylmethyl)-3-methyl-cyclohexan-1-amine (1R,3S)-N-(dicyclopropylmethyl)-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43204104
    • 28660679

  • Enamine BB Make on Demand

    • BBV-32812987

  • UORSY BB Make-on-demand

    • BBV-32812987

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	3.74	9.27	-30.96	2	1	1	17	208.369	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC20130754
• 35258336
  

  Analogs

  42856467

  

  42856470

  

  42856473

  

  42856474

  

  42856489

  

  Popular Name: (1S,2S)-2-cyclohexyl-N-(cyclopropylmethyl)cyclohexanamine (1S,2S)-2-cyclohexyl-N-(cyclopro…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43434560

  • Enamine BB Make on Demand

    • BBV-27123720

  • UORSY BB Make-on-demand

    • BBV-27123720

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	5.03	10.03	-35.01	2	1	1	17	236.423	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC35258336
• 36874383
  

  Analogs

  42856467

  

  42856470

  

  42856473

  

  42856474

  

  42856489

  

  Popular Name: N-cyclopropyl-5-methyl-2-(propan-2-yl)cyclohexan-1-amine N-cyclopropyl-5-methyl-2-(propan…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Enamine Building Blocks

    • EN300-169255

  • PubChem

    • 16777444

  • Enamine BB Make on Demand

    • BBV-015233

  • UORSY BB Make-on-demand

    • BBV-015233

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	4.12	7.63	-28.94	2	1	1	17	196.358	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36874383