1-[2-(adamantan-1-yl)-2-oxoethyl]-2-amino-4-methylpyridin-1-ium--bromide (1/1)
Chemical Structure Depiction of
1-[2-(adamantan-1-yl)-2-oxoethyl]-2-amino-4-methylpyridin-1-ium--bromide (1/1)
1-[2-(adamantan-1-yl)-2-oxoethyl]-2-amino-4-methylpyridin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 8001-1395 |
| Compound Name: | 1-[2-(adamantan-1-yl)-2-oxoethyl]-2-amino-4-methylpyridin-1-ium--bromide (1/1) |
| Molecular Weight: | 365.31 |
| Molecular Formula: | C18 H25 N2 O |
| Salt: | Br- |
| Smiles: | Cc1cc[n+](CC(C23CC4CC(CC(C4)C3)C2)=O)c(c1)N |
| Stereo: | ACHIRAL |
| logP: | 3.6698 |
| logD: | 3.6698 |
| logSw: | -3.9124 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 35.021 |
| InChI Key: | QMIISJGVZGNLPQ-UHFFFAOYSA-O |