1-ethyl-3-[(2-methylpropyl)amino]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Chemical Structure Depiction of
1-ethyl-3-[(2-methylpropyl)amino]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
1-ethyl-3-[(2-methylpropyl)amino]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Compound characteristics
| Compound ID: | 5921-0176 |
| Compound Name: | 1-ethyl-3-[(2-methylpropyl)amino]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile |
| Molecular Weight: | 257.38 |
| Molecular Formula: | C16 H23 N3 |
| Smiles: | CCc1c2CCCCc2c(C#N)c(NCC(C)C)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.2606 |
| logD: | 4.2606 |
| logSw: | -4.2536 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.243 |
| InChI Key: | ASMZPUFLFFEPMZ-UHFFFAOYSA-N |