(4-Cyano-cyclohexylmethyl)-amine
TL;DR: (4-Cyano-cyclohexylmethyl)-amine (CAS 5535-81-9) is a chemical compound with molecular formula C8H14N2 and molecular weight 138.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(aminomethyl)cyclohexane-1-carbonitrile
Also Known As: 4-(aminomethyl)cyclohexanecarbonitrile, 4-(aminomethyl)cyclohexane-1-carbonitrile, (4-cyano-cyclohexylmethyl)-amine, 4- cyclohexane-1-carbonitrile, 4-aminomethyl-cyclohexanecarbonitrile
| Molecular Formula | C8H14N2 |
|---|---|
| Molecular Weight | 138.12 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 138.11569 |
| Heavy Atoms | 10 |
| Complexity | 137.0 |
Chemical Identifiers
| CAS Number | 5535-81-9 |
|---|---|
| SMILES | C1CC(CCC1CN)C#N |
| InChIKey | SSXMIBAFANQRTR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(4-Cyano-cyclohexylmethyl)-amine (CAS 5535-81-9), with molecular formula C8H14N2 and molecular weight 138.12 g/mol. IUPAC: 4-(aminomethyl)cyclohexane-1-carbonitrile.
Chemical Property Profile of (4-Cyano-cyclohexylmethyl)-amine
Property Insights of (4-Cyano-cyclohexylmethyl)-amine
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Cyano-cyclohexylmethyl)-amine. With a topological polar surface area (TPSA) of 49.8 Ų, (4-Cyano-cyclohexylmethyl)-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Cyano-cyclohexylmethyl)-amine 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 (4-Cyano-cyclohexylmethyl)-amine?
The CAS number of (4-Cyano-cyclohexylmethyl)-amine is 5535-81-9.
What is the molecular formula of (4-Cyano-cyclohexylmethyl)-amine?
The molecular formula of (4-Cyano-cyclohexylmethyl)-amine is C8H14N2.
What is the molecular weight of (4-Cyano-cyclohexylmethyl)-amine?
The molecular weight of (4-Cyano-cyclohexylmethyl)-amine is 138.12 g/mol.
Where can I buy (4-Cyano-cyclohexylmethyl)-amine?
You can request a quote for (4-Cyano-cyclohexylmethyl)-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Cyano-cyclohexylmethyl)-amine?
Yes, KEHONG BIO provides custom synthesis services for (4-Cyano-cyclohexylmethyl)-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.