3-(Cyclooctylamino)propionitrile
TL;DR: 3-(Cyclooctylamino)propionitrile (CAS 206559-53-7) is a chemical compound with molecular formula C11H20N2 and molecular weight 180.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(cyclooctylamino)propanenitrile
Also Known As: 3-(Cyclooctylamino)propionitrile, 3-(cyclooctylamino)propanenitrile, Propanenitrile, 3-(cyclooctylamino)-, 5-cyclohexyl-2-methoxyaniline, 3-(Cyclooctylamino)propanitrile
| Molecular Formula | C11H20N2 |
|---|---|
| Molecular Weight | 180.16 g/mol |
| LogP | 2.60258 |
| Topological Polar Surface Area | 35.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.16264 |
| Heavy Atoms | 13 |
| Complexity | 151.96344 |
Chemical Identifiers
| CAS Number | 206559-53-7 |
|---|---|
| SMILES | C1CCCC(CCC1)NCCC#N |
Product Overview
3-(Cyclooctylamino)propionitrile (CAS 206559-53-7), with molecular formula C11H20N2 and molecular weight 180.16 g/mol. IUPAC: 3-(cyclooctylamino)propanenitrile.
Chemical Property Profile of 3-(Cyclooctylamino)propionitrile
Property Insights of 3-(Cyclooctylamino)propionitrile
The XLogP value of 2.60258 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Cyclooctylamino)propionitrile. With a topological polar surface area (TPSA) of 35.82 Ų, 3-(Cyclooctylamino)propionitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Cyclooctylamino)propionitrile has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(Cyclooctylamino)propionitrile?
The CAS number of 3-(Cyclooctylamino)propionitrile is 206559-53-7.
What is the molecular formula of 3-(Cyclooctylamino)propionitrile?
The molecular formula of 3-(Cyclooctylamino)propionitrile is C11H20N2.
What is the molecular weight of 3-(Cyclooctylamino)propionitrile?
The molecular weight of 3-(Cyclooctylamino)propionitrile is 180.16 g/mol.
Where can I buy 3-(Cyclooctylamino)propionitrile?
You can request a quote for 3-(Cyclooctylamino)propionitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Cyclooctylamino)propionitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(Cyclooctylamino)propionitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.