TL;DR: 3,3-Dimethyl-1-(pyrrolidin-1-yl)butan-2-ol (CAS 1052540-36-9) is a chemical compound with molecular formula C10H21NO and molecular weight 171.16231 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-ol
Also Known As: ZERO/005626, 3,3-dimethyl-1-(pyrrolidin-1-yl)butan-2-ol, 3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-ol, 3,3-dimethyl-1-pyrrolidinylbutan-2-ol, 3,3-dimethyl-1-pyrrolidin-1-yl-butan-2-ol
| Molecular Formula | C10H21NO |
| Molecular Weight | 171.16231 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 23.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 171.16231 Da |
| Heavy Atoms | 12 |
| Complexity | 133.0 |
| SMILES | CC(C)(C)C(CN1CCCC1)O |
| InChIKey | YGCSCXDFYNEGKS-UHFFFAOYSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Dimethyl-1-(pyrrolidin-1-yl)butan-2-ol. With a topological polar surface area (TPSA) of 23.5 Ų, 3,3-Dimethyl-1-(pyrrolidin-1-yl)butan-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Dimethyl-1-(pyrrolidin-1-yl)butan-2-ol has 1 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 3,3-Dimethyl-1-(pyrrolidin-1-yl)butan-2-ol is 1052540-36-9.
The molecular formula of 3,3-Dimethyl-1-(pyrrolidin-1-yl)butan-2-ol is C10H21NO.
The molecular weight of 3,3-Dimethyl-1-(pyrrolidin-1-yl)butan-2-ol is 171.16231 g/mol.
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