| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2008 | 12 | Yes |
Popular Name: N-Methyl-N-(2-pyrrolidinylmethyl)-1-butanamine dihydrochloride N-Methyl-N-(2-pyrrolidinylmethyl…
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CAS Numbers: 1220027-32-6 , N/A , [1220027-32-6]
METHYLPYRROLIDINYLMETHYLBUTANAMINEDIHYDROCHLORID
N-Methyl-N-(2-pyrrolidinylmethyl)-1-butanaminedihydrochloride
N-Methyl-N-(pyrrolidin-2-ylmethyl)butan-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) | 1.96 | 6.33 | -112.6 | 3 | 2 | 2 | 21 | 172.316 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.96 | 4.24 | -32.51 | 2 | 2 | 1 | 20 | 171.308 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.96 | 4.98 | -32.84 | 2 | 2 | 1 | 16 | 171.308 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.