TL;DR: alpha-Hexyl-2-(methylamino)tricyclo(3.3.1.1(sup 3,7))decane-2-ethanol hydrochloride (CAS 108736-84-1) is a chemical compound with molecular formula C19H36ClNO and molecular weight 329.24854 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-(methylamino)-2-adamantyl]octan-2-ol;hydrochloride
Also Known As: alpha-Hexyl-2-(methylamino)tricyclo(3.3.1.1(sup 3,7))decane-2-ethanol hydrochloride, 2-Methylamino-2-(2'-hydroxy-2'-n-hexylethyl)tricyclo(3.3.1.1(sup 3,7))decane hydrochloride, Tricyclo(3.3.1.1(sup 3,7))decane-2-ethanol, alpha-hexyl-2-(methylamino)-, hydrochloride, 1-[2-(methylamino)-2-adamantyl]octan-2-ol hydrochloride, 1-[2-(Methylamino)adamantan-2-yl]octan-2-ol--hydrogen chloride (1/1)
| Molecular Formula | C19H36ClNO |
| Molecular Weight | 329.24854 g/mol |
| XLogP | 4.5439 |
| Topological Polar Surface Area (TPSA) | 32.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 329.24854 Da |
| Heavy Atoms | 22 |
| Complexity | 312.0 |
| SMILES | CCCCCCC(CC1(C2CC3CC(C2)CC1C3)NC)O.Cl |
| InChIKey | XJYCJHHAONMHKR-UHFFFAOYSA-N |
The XLogP value of 4.5439 indicates that alpha-Hexyl-2-(methylamino)tricyclo(3.3.1.1(sup 3,7))decane-2-ethanol hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.3 Ų, alpha-Hexyl-2-(methylamino)tricyclo(3.3.1.1(sup 3,7))decane-2-ethanol hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Hexyl-2-(methylamino)tricyclo(3.3.1.1(sup 3,7))decane-2-ethanol hydrochloride has 3 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 alpha-Hexyl-2-(methylamino)tricyclo(3.3.1.1(sup 3,7))decane-2-ethanol hydrochloride is 108736-84-1.
The molecular formula of alpha-Hexyl-2-(methylamino)tricyclo(3.3.1.1(sup 3,7))decane-2-ethanol hydrochloride is C19H36ClNO.
The molecular weight of alpha-Hexyl-2-(methylamino)tricyclo(3.3.1.1(sup 3,7))decane-2-ethanol hydrochloride is 329.24854 g/mol.
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