3,3-dimethyl-1-[(3-methylpent-1-yn-3-yl)amino]butan-2-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
3,3-dimethyl-1-[(3-methylpent-1-yn-3-yl)amino]butan-2-one--hydrogen chloride (1/1)
3,3-dimethyl-1-[(3-methylpent-1-yn-3-yl)amino]butan-2-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8017-3516 |
| Compound Name: | 3,3-dimethyl-1-[(3-methylpent-1-yn-3-yl)amino]butan-2-one--hydrogen chloride (1/1) |
| Molecular Weight: | 231.76 |
| Molecular Formula: | C12 H21 N O |
| Salt: | HCl |
| Smiles: | CCC(C)(C#C)NCC(C(C)(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5606 |
| logD: | 2.5421 |
| logSw: | -2.4204 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 25.3434 |
| InChI Key: | LMLIKYMSVRJDOZ-GFCCVEGCSA-N |