1H-Azepine, hexahydro-3,5,5-trimethyl-
TL;DR: 1H-Azepine, hexahydro-3,5,5-trimethyl- (CAS 35466-90-1) is a chemical compound with molecular formula C9H19N and molecular weight 141.15175 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,5,5-trimethylazepane
Also Known As: 3,5,5-trimethylazepane, Hexahydro-3,5,5-trimethyl-1H-azepine, 3,5,5-Trimethyl-1-azacycloheptane, 1H-Azepine, hexahydro-3,5,5-trimethyl-, 3,5,5-Trimethylhexahydro-1H-azepine
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H19N |
| Molecular Weight | 141.15175 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 141.15175 Da |
| Heavy Atoms | 10 |
| Complexity | 107.0 |
| SMILES | CC1CC(CCNC1)(C)C |
| InChIKey | NJRGRJVSEHQKAM-UHFFFAOYSA-N |
Chemical Property Profile of 1H-Azepine, hexahydro-3,5,5-trimethyl-
Property Insights of 1H-Azepine, hexahydro-3,5,5-trimethyl-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Azepine, hexahydro-3,5,5-trimethyl-. With a topological polar surface area (TPSA) of 12.0 Ų, 1H-Azepine, hexahydro-3,5,5-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Azepine, hexahydro-3,5,5-trimethyl- has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1H-Azepine, hexahydro-3,5,5-trimethyl-?
The CAS number of 1H-Azepine, hexahydro-3,5,5-trimethyl- is 35466-90-1.
What is the molecular formula of 1H-Azepine, hexahydro-3,5,5-trimethyl-?
The molecular formula of 1H-Azepine, hexahydro-3,5,5-trimethyl- is C9H19N.
What is the molecular weight of 1H-Azepine, hexahydro-3,5,5-trimethyl-?
The molecular weight of 1H-Azepine, hexahydro-3,5,5-trimethyl- is 141.15175 g/mol.
Where can I buy 1H-Azepine, hexahydro-3,5,5-trimethyl-?
You can request a quote for 1H-Azepine, hexahydro-3,5,5-trimethyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1H-Azepine, hexahydro-3,5,5-trimethyl-?
Yes, CoreyChem provides custom synthesis services for 1H-Azepine, hexahydro-3,5,5-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.