![3-[(5,5-Dimethyl-3-oxo-1-cyclohexen-1-yl)(methyl)amino]propanenitrile structure](/static/products/900/90043-98-4.png)
3-[(5,5-Dimethyl-3-oxo-1-cyclohexen-1-yl)(methyl)amino]propanenitrile
TL;DR: 3-[(5,5-Dimethyl-3-oxo-1-cyclohexen-1-yl)(methyl)amino]propanenitrile (CAS 90043-98-4) is a chemical compound with molecular formula C12H18N2O and molecular weight 206.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5,5-dimethyl-3-oxocyclohexen-1-yl)-methylamino]propanenitrile
Also Known As: 3-[(5,5-dimethyl-3-oxo-1-cyclohexenyl)-methyl-amino]propanenitrile, 3-[(5,5-dimethyl-3-oxocyclohexen-1-yl)-methylamino]propanenitrile, 3-[(5,5-dimethyl-3-oxocyclohexen-1-yl)methylamino]propanenitrile, 3-[(5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)(methyl)amino]propanenitrile, 3-[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)(methyl)amino]propanenitrile
| Molecular Formula | C12H18N2O |
|---|---|
| Molecular Weight | 206.14 g/mol |
| LogP | 2.10488 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 206.1419 |
| Heavy Atoms | 15 |
| Complexity | 323.00406 |
Chemical Identifiers
| CAS Number | 90043-98-4 |
|---|---|
| SMILES | CC1(CC(=CC(=O)C1)N(C)CCC#N)C |
Product Overview
3-[(5,5-Dimethyl-3-oxo-1-cyclohexen-1-yl)(methyl)amino]propanenitrile (CAS 90043-98-4), with molecular formula C12H18N2O and molecular weight 206.14 g/mol. IUPAC: 3-[(5,5-dimethyl-3-oxocyclohexen-1-yl)-methylamino]propanenitrile.
Chemical Property Profile of 3-[(5,5-Dimethyl-3-oxo-1-cyclohexen-1-yl)(methyl)amino]propanenitrile
Property Insights of 3-[(5,5-Dimethyl-3-oxo-1-cyclohexen-1-yl)(methyl)amino]propanenitrile
The XLogP value of 2.10488 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(5,5-Dimethyl-3-oxo-1-cyclohexen-1-yl)(methyl)amino]propanenitrile. With a topological polar surface area (TPSA) of 44.1 Ų, 3-[(5,5-Dimethyl-3-oxo-1-cyclohexen-1-yl)(methyl)amino]propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(5,5-Dimethyl-3-oxo-1-cyclohexen-1-yl)(methyl)amino]propanenitrile has 0 hydrogen bond donor(s) and 3 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 3-[(5,5-Dimethyl-3-oxo-1-cyclohexen-1-yl)(methyl)amino]propanenitrile?
The CAS number of 3-[(5,5-Dimethyl-3-oxo-1-cyclohexen-1-yl)(methyl)amino]propanenitrile is 90043-98-4.
What is the molecular formula of 3-[(5,5-Dimethyl-3-oxo-1-cyclohexen-1-yl)(methyl)amino]propanenitrile?
The molecular formula of 3-[(5,5-Dimethyl-3-oxo-1-cyclohexen-1-yl)(methyl)amino]propanenitrile is C12H18N2O.
What is the molecular weight of 3-[(5,5-Dimethyl-3-oxo-1-cyclohexen-1-yl)(methyl)amino]propanenitrile?
The molecular weight of 3-[(5,5-Dimethyl-3-oxo-1-cyclohexen-1-yl)(methyl)amino]propanenitrile is 206.14 g/mol.
Where can I buy 3-[(5,5-Dimethyl-3-oxo-1-cyclohexen-1-yl)(methyl)amino]propanenitrile?
You can request a quote for 3-[(5,5-Dimethyl-3-oxo-1-cyclohexen-1-yl)(methyl)amino]propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(5,5-Dimethyl-3-oxo-1-cyclohexen-1-yl)(methyl)amino]propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[(5,5-Dimethyl-3-oxo-1-cyclohexen-1-yl)(methyl)amino]propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.