| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2008 | 13 | Yes |
Popular Name: MFCD13561763 MFCD13561763
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1220035-97-1 , N/A
N-Propyl-N-(2-pyrrolidinylmethyl)-1-propanamine dihydrochloride
N-Propyl-N-(2-pyrrolidinylmethyl)-1-propanaminedihydrochloride
N-Propyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine dihydrochloride
| 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) | 2.28 | 6.86 | -111.3 | 3 | 2 | 2 | 21 | 186.343 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.28 | 4.57 | -33.68 | 2 | 2 | 1 | 20 | 185.335 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.28 | 6 | -30.95 | 2 | 2 | 1 | 16 | 185.335 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.