TL;DR: 2-(Methylamino)-alpha-octyltricyclo(3.3.1.1(sup 3,7))decane-2-ethanol hydrochloride (CAS 108736-88-5) is a chemical compound with molecular formula C21H40ClNO and molecular weight 357.27985 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-(methylamino)-2-adamantyl]decan-2-ol;hydrochloride
Also Known As: 2-(Methylamino)-alpha-octyltricyclo(3.3.1.1(sup 3,7))decane-2-ethanol hydrochloride, 2-Methylamino-2-(2'-hydroxy-2'-n-octylethyl)tricyclo(3.3.1.1(sup 3,7))decane hydrochloride, Tricyclo(3.3.1.1(sup 3,7))decane-2-ethanol, 2-(methylamino)-alpha-octyl-, hydrochloride, 1-[2-(methylamino)-2-adamantyl]decan-2-ol hydrochloride, 1-[2-(Methylamino)adamantan-2-yl]decan-2-ol--hydrogen chloride (1/1)
| Molecular Formula | C21H40ClNO |
| Molecular Weight | 357.27985 g/mol |
| XLogP | 5.3241 |
| Topological Polar Surface Area (TPSA) | 32.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 357.27985 Da |
| Heavy Atoms | 24 |
| Complexity | 339.0 |
| SMILES | CCCCCCCCC(CC1(C2CC3CC(C2)CC1C3)NC)O.Cl |
| InChIKey | KSBUNVJQBBPTJY-UHFFFAOYSA-N |
The XLogP value of 5.3241 indicates that 2-(Methylamino)-alpha-octyltricyclo(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-octyltricyclo(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-octyltricyclo(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-octyltricyclo(3.3.1.1(sup 3,7))decane-2-ethanol hydrochloride is 108736-88-5.
The molecular formula of 2-(Methylamino)-alpha-octyltricyclo(3.3.1.1(sup 3,7))decane-2-ethanol hydrochloride is C21H40ClNO.
The molecular weight of 2-(Methylamino)-alpha-octyltricyclo(3.3.1.1(sup 3,7))decane-2-ethanol hydrochloride is 357.27985 g/mol.
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