1-(Dimethylamino)cyclohexanecarbonitrile
TL;DR: 1-(Dimethylamino)cyclohexanecarbonitrile (CAS 16499-30-2) 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.
1-(dimethylamino)cyclohexane-1-carbonitrile
Also Known As: 1-(Dimethylamino)cyclohexanecarbonitrile, 1-(dimethylamino)cyclohexane-1-carbonitrile, Gallium(iii)fluoride, Cyclohexanecarbonitrile, 1-(dimethylamino)-, 1-cyanocyclohexyldimethylamine
| Molecular Formula | C9H16N2 |
|---|---|
| Molecular Weight | 152.13 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 152.13135 |
| Heavy Atoms | 11 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 16499-30-2 |
|---|---|
| SMILES | CN(C)C1(CCCCC1)C#N |
| InChIKey | SDHHZJUUIBWPPN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Dimethylamino)cyclohexanecarbonitrile (CAS 16499-30-2), with molecular formula C9H16N2 and molecular weight 152.13 g/mol. IUPAC: 1-(dimethylamino)cyclohexane-1-carbonitrile.
Chemical Property Profile of 1-(Dimethylamino)cyclohexanecarbonitrile
Property Insights of 1-(Dimethylamino)cyclohexanecarbonitrile
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Dimethylamino)cyclohexanecarbonitrile. With a topological polar surface area (TPSA) of 27.0 Ų, 1-(Dimethylamino)cyclohexanecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Dimethylamino)cyclohexanecarbonitrile 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-(Dimethylamino)cyclohexanecarbonitrile?
The CAS number of 1-(Dimethylamino)cyclohexanecarbonitrile is 16499-30-2.
What is the molecular formula of 1-(Dimethylamino)cyclohexanecarbonitrile?
The molecular formula of 1-(Dimethylamino)cyclohexanecarbonitrile is C9H16N2.
What is the molecular weight of 1-(Dimethylamino)cyclohexanecarbonitrile?
The molecular weight of 1-(Dimethylamino)cyclohexanecarbonitrile is 152.13 g/mol.
Where can I buy 1-(Dimethylamino)cyclohexanecarbonitrile?
You can request a quote for 1-(Dimethylamino)cyclohexanecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Dimethylamino)cyclohexanecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-(Dimethylamino)cyclohexanecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.