1-(4-Methylanilino)cyclopentane-1-carbonitrile
TL;DR: 1-(4-Methylanilino)cyclopentane-1-carbonitrile (CAS 76025-75-7) is a chemical compound with molecular formula C13H16N2 and molecular weight 200.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylanilino)cyclopentane-1-carbonitrile
Also Known As: 1-(4-methylanilino)cyclopentane-1-carbonitrile, 1-[(4-methylphenyl)amino]cyclopentanecarbonitrile, 1-(4-methylphenyl)aminocyclopentanenitrile, J3.079.625J, 1-(4-methylphenyl)aminocyclopentanecarbonitrile
| Molecular Formula | C13H16N2 |
|---|---|
| Molecular Weight | 200.13 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 35.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.13135 |
| Heavy Atoms | 15 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 76025-75-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC2(CCCC2)C#N |
| InChIKey | DJZRDYOTSBJLRT-UHFFFAOYSA-N |
Product Overview
1-(4-Methylanilino)cyclopentane-1-carbonitrile (CAS 76025-75-7), with molecular formula C13H16N2 and molecular weight 200.13 g/mol. IUPAC: 1-(4-methylanilino)cyclopentane-1-carbonitrile.
Chemical Property Profile of 1-(4-Methylanilino)cyclopentane-1-carbonitrile
Property Insights of 1-(4-Methylanilino)cyclopentane-1-carbonitrile
The XLogP value of 3.1 indicates that 1-(4-Methylanilino)cyclopentane-1-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.8 Ų, 1-(4-Methylanilino)cyclopentane-1-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Methylanilino)cyclopentane-1-carbonitrile 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-(4-Methylanilino)cyclopentane-1-carbonitrile?
The CAS number of 1-(4-Methylanilino)cyclopentane-1-carbonitrile is 76025-75-7.
What is the molecular formula of 1-(4-Methylanilino)cyclopentane-1-carbonitrile?
The molecular formula of 1-(4-Methylanilino)cyclopentane-1-carbonitrile is C13H16N2.
What is the molecular weight of 1-(4-Methylanilino)cyclopentane-1-carbonitrile?
The molecular weight of 1-(4-Methylanilino)cyclopentane-1-carbonitrile is 200.13 g/mol.
Where can I buy 1-(4-Methylanilino)cyclopentane-1-carbonitrile?
You can request a quote for 1-(4-Methylanilino)cyclopentane-1-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Methylanilino)cyclopentane-1-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methylanilino)cyclopentane-1-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.