3-{[2-(1H-imidazol-5-yl)ethyl]amino}-5,5-dimethylcyclohex-2-en-1-one
Chemical Structure Depiction of
3-{[2-(1H-imidazol-5-yl)ethyl]amino}-5,5-dimethylcyclohex-2-en-1-one
3-{[2-(1H-imidazol-5-yl)ethyl]amino}-5,5-dimethylcyclohex-2-en-1-one
Compound characteristics
| Compound ID: | 8016-6913 |
| Compound Name: | 3-{[2-(1H-imidazol-5-yl)ethyl]amino}-5,5-dimethylcyclohex-2-en-1-one |
| Molecular Weight: | 233.31 |
| Molecular Formula: | C13 H19 N3 O |
| Smiles: | CC1(C)CC(=CC(C1)=O)NCCc1cnc[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 0.7834 |
| logD: | 0.6374 |
| logSw: | -1.205 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 46.223 |
| InChI Key: | QGEAJDQFUGUVLF-UHFFFAOYSA-N |