| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 4th, 2010 | 19 | Yes |
Popular Name: N-(2-azepanylmethyl)-N-isopentyl-3-methyl-1-butanamine N-(2-azepanylmethyl)-N-isopentyl…
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CAS Number: 881041-25-4
N-(2-azepanylmethyl)-N,N-diisopentylamine
N-(azepan-2-ylmethyl)-3-methyl-N-(3-methylbutyl)butan-1-amine
| 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) | 4.83 | 10.55 | -116.24 | 3 | 2 | 2 | 21 | 270.505 | 8 | ↓ |
| Hi High (pH 8-9.5) | 4.83 | 9.38 | -32.05 | 2 | 2 | 1 | 16 | 269.497 | 8 | ↓ |
| Hi High (pH 8-9.5) | 4.83 | 8.79 | -32.99 | 2 | 2 | 1 | 20 | 269.497 | 8 | ↓ |
