1-((2,5-Dimethylphenyl)amino)cyclohexanecarbonitrile
TL;DR: 1-((2,5-Dimethylphenyl)amino)cyclohexanecarbonitrile (CAS 391890-09-8) is a chemical compound with molecular formula C15H20N2 and molecular weight 228.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,5-dimethylanilino)cyclohexane-1-carbonitrile
Also Known As: 1-(2,5-xylidino)cyclohexanecarbonitrile, 1-((2,5-dimethylphenyl)amino)cyclohexanecarbonitrile, 1-(2,5-dimethylanilino)cyclohexane-1-carbonitrile, 1-[(2,5-dimethylphenyl)amino]cyclohexane-1-carbonitrile, VU0493900-1
| Molecular Formula | C15H20N2 |
|---|---|
| Molecular Weight | 228.16 g/mol |
| LogP | 3.94182 |
| Topological Polar Surface Area | 35.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.16264 |
| Heavy Atoms | 17 |
| Complexity | 436.7253 |
Chemical Identifiers
| CAS Number | 391890-09-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)NC2(CCCCC2)C#N |
Product Overview
1-((2,5-Dimethylphenyl)amino)cyclohexanecarbonitrile (CAS 391890-09-8), with molecular formula C15H20N2 and molecular weight 228.16 g/mol. IUPAC: 1-(2,5-dimethylanilino)cyclohexane-1-carbonitrile.
Chemical Property Profile of 1-((2,5-Dimethylphenyl)amino)cyclohexanecarbonitrile
Property Insights of 1-((2,5-Dimethylphenyl)amino)cyclohexanecarbonitrile
The XLogP value of 3.94182 indicates that 1-((2,5-Dimethylphenyl)amino)cyclohexanecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.82 Ų, 1-((2,5-Dimethylphenyl)amino)cyclohexanecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-((2,5-Dimethylphenyl)amino)cyclohexanecarbonitrile 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 1-((2,5-Dimethylphenyl)amino)cyclohexanecarbonitrile?
The CAS number of 1-((2,5-Dimethylphenyl)amino)cyclohexanecarbonitrile is 391890-09-8.
What is the molecular formula of 1-((2,5-Dimethylphenyl)amino)cyclohexanecarbonitrile?
The molecular formula of 1-((2,5-Dimethylphenyl)amino)cyclohexanecarbonitrile is C15H20N2.
What is the molecular weight of 1-((2,5-Dimethylphenyl)amino)cyclohexanecarbonitrile?
The molecular weight of 1-((2,5-Dimethylphenyl)amino)cyclohexanecarbonitrile is 228.16 g/mol.
Where can I buy 1-((2,5-Dimethylphenyl)amino)cyclohexanecarbonitrile?
You can request a quote for 1-((2,5-Dimethylphenyl)amino)cyclohexanecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-((2,5-Dimethylphenyl)amino)cyclohexanecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-((2,5-Dimethylphenyl)amino)cyclohexanecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.