TL;DR: 2-(Methylamino)-alpha-tetradecyltricyclo(3.3.1.1(sup 3,7))decane-2-ethanol hydrochloride (CAS 108736-89-6) is a chemical compound with molecular formula C27H52ClNO and molecular weight 441.37375 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-(methylamino)-2-adamantyl]hexadecan-2-ol;hydrochloride
Also Known As: 2-(Methylamino)-alpha-tetradecyltricyclo(3.3.1.1(sup 3,7))decane-2-ethanol hydrochloride, 2-Methylamino-2-(2'-hydroxy-2'-n-tetradecylethyl)tricyclo(3.3.1.1(sup 3,7))decane HCl, Tricyclo(3.3.1.1(sup 3,7))decane-2-ethanol, 2-(methylamino)-alpha-tetradecyl-, hydrochloride, 1-[2-(methylamino)-2-adamantyl]hexadecan-2-ol hydrochloride, 1-[2-(Methylamino)adamantan-2-yl]hexadecan-2-ol--hydrogen chloride (1/1)
| Molecular Formula | C27H52ClNO |
| Molecular Weight | 441.37375 g/mol |
| XLogP | 7.6647 |
| Topological Polar Surface Area (TPSA) | 32.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 16 |
| Exact Mass | 441.37375 Da |
| Heavy Atoms | 30 |
| Complexity | 420.0 |
| SMILES | CCCCCCCCCCCCCCC(CC1(C2CC3CC(C2)CC1C3)NC)O.Cl |
| InChIKey | LTKUIDBPDGIYIW-UHFFFAOYSA-N |
The XLogP value of 7.6647 indicates that 2-(Methylamino)-alpha-tetradecyltricyclo(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, 2-(Methylamino)-alpha-tetradecyltricyclo(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, 2-(Methylamino)-alpha-tetradecyltricyclo(3.3.1.1(sup 3,7))decane-2-ethanol hydrochloride has 3 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-(Methylamino)-alpha-tetradecyltricyclo(3.3.1.1(sup 3,7))decane-2-ethanol hydrochloride is 108736-89-6.
The molecular formula of 2-(Methylamino)-alpha-tetradecyltricyclo(3.3.1.1(sup 3,7))decane-2-ethanol hydrochloride is C27H52ClNO.
The molecular weight of 2-(Methylamino)-alpha-tetradecyltricyclo(3.3.1.1(sup 3,7))decane-2-ethanol hydrochloride is 441.37375 g/mol.
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