TL;DR: 1-(Adamantan-1-yl)-3-(dimethylamino)propan-1-ol--hydrogen chloride (1/1) (CAS 31878-59-8) is a chemical compound with molecular formula C15H28ClNO and molecular weight 273.18594 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(1-adamantyl)-3-(dimethylamino)propan-1-ol;hydrochloride
Also Known As: adamantanol, 1-ADAMANTANEMETHANOL, alpha-(2-DIMETHYLAMINOETHYL)-, HYDROCHLORIDE, 1-(1-adamantyl)-3-(dimethylamino)propan-1-ol;hydrochloride, Adamantane, 1-(3-dimethylamino-1-hydroxy)propyl-, hydrochloride, 1-(1-adamantyl)-3-(dimethylamino)propan-1-ol hydrochloride
| Molecular Formula | C15H28ClNO |
| Molecular Weight | 273.18594 g/mol |
| XLogP | 2.94 |
| Topological Polar Surface Area (TPSA) | 23.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 273.18594 Da |
| Heavy Atoms | 18 |
| Complexity | 245.0 |
| SMILES | CN(C)CCC(C12CC3CC(C1)CC(C3)C2)O.Cl |
| InChIKey | WFAAAQMLNSPGNL-UHFFFAOYSA-N |
The XLogP value of 2.94 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Adamantan-1-yl)-3-(dimethylamino)propan-1-ol--hydrogen chloride (1/1). With a topological polar surface area (TPSA) of 23.5 Ų, 1-(Adamantan-1-yl)-3-(dimethylamino)propan-1-ol--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Adamantan-1-yl)-3-(dimethylamino)propan-1-ol--hydrogen chloride (1/1) has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-(Adamantan-1-yl)-3-(dimethylamino)propan-1-ol--hydrogen chloride (1/1) is 31878-59-8.
The molecular formula of 1-(Adamantan-1-yl)-3-(dimethylamino)propan-1-ol--hydrogen chloride (1/1) is C15H28ClNO.
The molecular weight of 1-(Adamantan-1-yl)-3-(dimethylamino)propan-1-ol--hydrogen chloride (1/1) is 273.18594 g/mol.
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