1-Pyrrolidinocyclohexanecarbonitrile
TL;DR: 1-Pyrrolidinocyclohexanecarbonitrile (CAS 22912-25-0) is a chemical compound with molecular formula C11H18N2 and molecular weight 178.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-pyrrolidin-1-ylcyclohexane-1-carbonitrile
Also Known As: 1-(1-Cyanocyclohexyl)pyrrolidine, Cyclohexanecarbonitrile, 1-(1-pyrrolidinyl)-, 1-Pyrrolidinocyclohexanecarbonitrile, 1- PYRROLIDINE, Cyclohexanecarbonitrile, 1-pyrrolidino-
| Molecular Formula | C11H18N2 |
|---|---|
| Molecular Weight | 178.15 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 178.147 |
| Heavy Atoms | 13 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 22912-25-0 |
|---|---|
| SMILES | C1CCC(CC1)(C#N)N2CCCC2 |
| InChIKey | BFONNRLSLNCPJF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Pyrrolidinocyclohexanecarbonitrile (CAS 22912-25-0), with molecular formula C11H18N2 and molecular weight 178.15 g/mol. IUPAC: 1-pyrrolidin-1-ylcyclohexane-1-carbonitrile.
Chemical Property Profile of 1-Pyrrolidinocyclohexanecarbonitrile
Property Insights of 1-Pyrrolidinocyclohexanecarbonitrile
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Pyrrolidinocyclohexanecarbonitrile. With a topological polar surface area (TPSA) of 27.0 Ų, 1-Pyrrolidinocyclohexanecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Pyrrolidinocyclohexanecarbonitrile 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 1-Pyrrolidinocyclohexanecarbonitrile?
The CAS number of 1-Pyrrolidinocyclohexanecarbonitrile is 22912-25-0.
What is the molecular formula of 1-Pyrrolidinocyclohexanecarbonitrile?
The molecular formula of 1-Pyrrolidinocyclohexanecarbonitrile is C11H18N2.
What is the molecular weight of 1-Pyrrolidinocyclohexanecarbonitrile?
The molecular weight of 1-Pyrrolidinocyclohexanecarbonitrile is 178.15 g/mol.
Where can I buy 1-Pyrrolidinocyclohexanecarbonitrile?
You can request a quote for 1-Pyrrolidinocyclohexanecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Pyrrolidinocyclohexanecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-Pyrrolidinocyclohexanecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.