TL;DR: 5-(Dimethylamino)-2-methylpent-3-yn-2-ol hydrochloride (CAS 100156-25-0) is a chemical compound with molecular formula C8H16ClNO and molecular weight 177.09204 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(dimethylamino)-2-methylpent-3-yn-2-ol;hydrochloride
Also Known As: 5-(Dimethylamino)-2-methylpent-3-yn-2-ol hydrochloride, 5-(dimethylamino)-2-methylpent-3-yn-2-ol,hydrochloride, 5-dimethylamino-2-methyl-pent-3-yn-2-ol Hydrochloride, 5-(Dimethylamino)-2-methylpent-3-yn-2-ol--hydrogen chloride (1/1)
| Molecular Formula | C8H16ClNO |
| Molecular Weight | 177.09204 g/mol |
| XLogP | 0.7441 |
| Topological Polar Surface Area (TPSA) | 23.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 177.09204 Da |
| Heavy Atoms | 11 |
| Complexity | 159.0 |
| SMILES | CC(C)(C#CCN(C)C)O.Cl |
| InChIKey | YWCJXCPTDNUUET-UHFFFAOYSA-N |
The XLogP value of 0.7441 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Dimethylamino)-2-methylpent-3-yn-2-ol hydrochloride. With a topological polar surface area (TPSA) of 23.5 Ų, 5-(Dimethylamino)-2-methylpent-3-yn-2-ol hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Dimethylamino)-2-methylpent-3-yn-2-ol hydrochloride 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 5-(Dimethylamino)-2-methylpent-3-yn-2-ol hydrochloride is 100156-25-0.
The molecular formula of 5-(Dimethylamino)-2-methylpent-3-yn-2-ol hydrochloride is C8H16ClNO.
The molecular weight of 5-(Dimethylamino)-2-methylpent-3-yn-2-ol hydrochloride is 177.09204 g/mol.
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