2-(Cyclohexylmethylamino)ethanenitrile
TL;DR: 2-(Cyclohexylmethylamino)ethanenitrile (CAS 96517-08-7) is a chemical compound with molecular formula C9H16N2 and molecular weight 152.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[cyclohexyl(methyl)amino]acetonitrile
Also Known As: (Methylcyclohexylamino)acetonitrile, 2-[cyclohexyl(methyl)amino]acetonitrile, N-Methyl(cyclohexylamino)acetonitrile, 2-(cyclohexylmethylamino)ethanenitrile, 2-((cyclohexylmethyl)amino)acetonitrile
| Molecular Formula | C9H16N2 |
|---|---|
| Molecular Weight | 152.13 g/mol |
| LogP | 1.77448 |
| Topological Polar Surface Area | 27.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 152.13135 |
| Heavy Atoms | 11 |
| Complexity | 142.13194 |
Chemical Identifiers
| CAS Number | 96517-08-7 |
|---|---|
| SMILES | CN(CC#N)C1CCCCC1 |
Product Overview
2-(Cyclohexylmethylamino)ethanenitrile (CAS 96517-08-7), with molecular formula C9H16N2 and molecular weight 152.13 g/mol. IUPAC: 2-[cyclohexyl(methyl)amino]acetonitrile.
Chemical Property Profile of 2-(Cyclohexylmethylamino)ethanenitrile
Property Insights of 2-(Cyclohexylmethylamino)ethanenitrile
The XLogP value of 1.77448 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Cyclohexylmethylamino)ethanenitrile. With a topological polar surface area (TPSA) of 27.03 Ų, 2-(Cyclohexylmethylamino)ethanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Cyclohexylmethylamino)ethanenitrile has 0 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 2-(Cyclohexylmethylamino)ethanenitrile?
The CAS number of 2-(Cyclohexylmethylamino)ethanenitrile is 96517-08-7.
What is the molecular formula of 2-(Cyclohexylmethylamino)ethanenitrile?
The molecular formula of 2-(Cyclohexylmethylamino)ethanenitrile is C9H16N2.
What is the molecular weight of 2-(Cyclohexylmethylamino)ethanenitrile?
The molecular weight of 2-(Cyclohexylmethylamino)ethanenitrile is 152.13 g/mol.
Where can I buy 2-(Cyclohexylmethylamino)ethanenitrile?
You can request a quote for 2-(Cyclohexylmethylamino)ethanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Cyclohexylmethylamino)ethanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Cyclohexylmethylamino)ethanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.