1-butyl-3-[(3-methylbutyl)amino]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Chemical Structure Depiction of
1-butyl-3-[(3-methylbutyl)amino]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
1-butyl-3-[(3-methylbutyl)amino]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Compound characteristics
| Compound ID: | 4576-0126 |
| Compound Name: | 1-butyl-3-[(3-methylbutyl)amino]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile |
| Molecular Weight: | 299.46 |
| Molecular Formula: | C19 H29 N3 |
| Smiles: | CCCCc1c2CCCCc2c(C#N)c(NCCC(C)C)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.9686 |
| logD: | 5.9684 |
| logSw: | -5.6011 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.084 |
| InChI Key: | FGPFOCFVBSMBHK-UHFFFAOYSA-N |