N-(but-2-yn-1-yl)-N-(3,3-dimethyl-2-oxobutyl)-N-methylbut-2-yn-1-aminium--bromide (1/1)
Chemical Structure Depiction of
N-(but-2-yn-1-yl)-N-(3,3-dimethyl-2-oxobutyl)-N-methylbut-2-yn-1-aminium--bromide (1/1)
N-(but-2-yn-1-yl)-N-(3,3-dimethyl-2-oxobutyl)-N-methylbut-2-yn-1-aminium--bromide (1/1)
Compound characteristics
| Compound ID: | 5504-0047 |
| Compound Name: | N-(but-2-yn-1-yl)-N-(3,3-dimethyl-2-oxobutyl)-N-methylbut-2-yn-1-aminium--bromide (1/1) |
| Molecular Weight: | 314.26 |
| Molecular Formula: | C15 H24 N O |
| Salt: | Br- |
| Smiles: | CC#CC[N+](C)(CC#CC)CC(C(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6721 |
| logD: | 2.6721 |
| logSw: | -2.41 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 14.4768 |
| InChI Key: | ZUNVKDIMBKDNEV-UHFFFAOYSA-N |