3-(butylamino)-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Chemical Structure Depiction of
3-(butylamino)-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
3-(butylamino)-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Compound characteristics
| Compound ID: | 5921-0179 |
| Compound Name: | 3-(butylamino)-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile |
| Molecular Weight: | 257.38 |
| Molecular Formula: | C16 H23 N3 |
| Smiles: | CCCCNc1c(C#N)c2CCCCc2c(CC)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.6066 |
| logD: | 4.6064 |
| logSw: | -4.3979 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.084 |
| InChI Key: | AFUUGKRJZCNTAF-UHFFFAOYSA-N |