TL;DR: (+)-cis-4-N-Isopropylamino-trans-3-hydroxy-cis-carane (CAS 146087-00-5) is a chemical compound with molecular formula C13H25NO and molecular weight 211.19362 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S,3S,4S,6R)-3,7,7-trimethyl-4-(propan-2-ylamino)bicyclo[4.1.0]heptan-3-ol
Also Known As: (+)-cis-4-N-Isopropylamino-trans-3-hydroxy-cis-carane, Bicyclo(4.1.0)heptan-3-ol, 4-((1-methylethyl)amino)-3,7,7-trimethyl-, (1S-(1-alpha,3-alpha,4-beta,6-alpha))-, (1S,3S,4S,6R)-3,7,7-trimethyl-4-(propan-2-ylamino)norcaran-3-ol, (1R,3S,4S,6S)-4,7,7-trimethyl-3-(propan-2-ylamino)bicyclo[4.1.0]heptan-4-ol, (1S,3S,4S,6R)-3,7,7-Trimethyl-4-[(propan-2-yl)amino]bicyclo[4.1.0]heptan-3-ol
| Molecular Formula | C13H25NO |
| Molecular Weight | 211.19362 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 32.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 211.19362 Da |
| Heavy Atoms | 15 |
| Complexity | 261.0 |
| SMILES | CC(C)N[C@H]1C[C@@H]2[C@@H](C2(C)C)C[C@]1(C)O |
| InChIKey | LYERGDJILMFRIM-BLFANLJRSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (+)-cis-4-N-Isopropylamino-trans-3-hydroxy-cis-carane. With a topological polar surface area (TPSA) of 32.3 Ų, (+)-cis-4-N-Isopropylamino-trans-3-hydroxy-cis-carane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (+)-cis-4-N-Isopropylamino-trans-3-hydroxy-cis-carane 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 (+)-cis-4-N-Isopropylamino-trans-3-hydroxy-cis-carane is 146087-00-5.
The molecular formula of (+)-cis-4-N-Isopropylamino-trans-3-hydroxy-cis-carane is C13H25NO.
The molecular weight of (+)-cis-4-N-Isopropylamino-trans-3-hydroxy-cis-carane is 211.19362 g/mol.
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