2-(Ethylaminomethylidene)-4,4-dimethyl-3-oxopentanenitrile
TL;DR: 2-(Ethylaminomethylidene)-4,4-dimethyl-3-oxopentanenitrile (CAS 866152-36-5) is a chemical compound with molecular formula C10H16N2O and molecular weight 180.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(ethylaminomethylidene)-4,4-dimethyl-3-oxopentanenitrile
Also Known As: 2-(ethylaminomethylidene)-4,4-dimethyl-3-oxopentanenitrile, 2-(ethylaminomethylidene)-4,4-dimethyl-3-oxo-pentanenitrile, (E)-2-(2,2-dimethylpropanoyl)-3-(ethylamino)-2-propenenitrile
| Molecular Formula | C10H16N2O |
|---|---|
| Molecular Weight | 180.13 g/mol |
| LogP | 1.61858 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.12627 |
| Heavy Atoms | 13 |
| Complexity | 253.07877 |
Chemical Identifiers
| CAS Number | 866152-36-5 |
|---|---|
| SMILES | CCNC=C(C#N)C(=O)C(C)(C)C |
Product Overview
2-(Ethylaminomethylidene)-4,4-dimethyl-3-oxopentanenitrile (CAS 866152-36-5), with molecular formula C10H16N2O and molecular weight 180.13 g/mol. IUPAC: 2-(ethylaminomethylidene)-4,4-dimethyl-3-oxopentanenitrile.
Chemical Property Profile of 2-(Ethylaminomethylidene)-4,4-dimethyl-3-oxopentanenitrile
Property Insights of 2-(Ethylaminomethylidene)-4,4-dimethyl-3-oxopentanenitrile
The XLogP value of 1.61858 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Ethylaminomethylidene)-4,4-dimethyl-3-oxopentanenitrile. With a topological polar surface area (TPSA) of 52.89 Ų, 2-(Ethylaminomethylidene)-4,4-dimethyl-3-oxopentanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Ethylaminomethylidene)-4,4-dimethyl-3-oxopentanenitrile has 1 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 2-(Ethylaminomethylidene)-4,4-dimethyl-3-oxopentanenitrile?
The CAS number of 2-(Ethylaminomethylidene)-4,4-dimethyl-3-oxopentanenitrile is 866152-36-5.
What is the molecular formula of 2-(Ethylaminomethylidene)-4,4-dimethyl-3-oxopentanenitrile?
The molecular formula of 2-(Ethylaminomethylidene)-4,4-dimethyl-3-oxopentanenitrile is C10H16N2O.
What is the molecular weight of 2-(Ethylaminomethylidene)-4,4-dimethyl-3-oxopentanenitrile?
The molecular weight of 2-(Ethylaminomethylidene)-4,4-dimethyl-3-oxopentanenitrile is 180.13 g/mol.
Where can I buy 2-(Ethylaminomethylidene)-4,4-dimethyl-3-oxopentanenitrile?
You can request a quote for 2-(Ethylaminomethylidene)-4,4-dimethyl-3-oxopentanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Ethylaminomethylidene)-4,4-dimethyl-3-oxopentanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Ethylaminomethylidene)-4,4-dimethyl-3-oxopentanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.