2-(2,2-Dimethylpropanoyl)-3-(benzylamino)prop-2-enenitrile
TL;DR: 2-(2,2-Dimethylpropanoyl)-3-(benzylamino)prop-2-enenitrile (CAS 1024622-53-4) is a chemical compound with molecular formula C15H18N2O and molecular weight 242.1419 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(benzylamino)methylidene]-4,4-dimethyl-3-oxopentanenitrile
Also Known As: 2-(2,2-DIMETHYLPROPANOYL)-3-(BENZYLAMINO)PROP-2-ENENITRILE, 2-[(benzylamino)methylene]-4,4-dimethyl-3-oxo-pentanenitrile, 2-[(benzylamino)methylidene]-4,4-dimethyl-3-oxo-pentanenitrile, 2-[(benzylamino)methylidene]-4,4-dimethyl-3-oxopentanenitrile, (2Z)-2-[(benzylamino)methylidene]-4,4-dimethyl-3-oxopentanenitrile
Technical Specifications
| Molecular Formula | C15H18N2O |
| Molecular Weight | 242.1419 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 242.1419 Da |
| Heavy Atoms | 18 |
| Complexity | 362.0 |
| SMILES | CC(C)(C)C(=O)C(=CNCC1=CC=CC=C1)C#N |
| InChIKey | MCNLQGQPUAALOV-UHFFFAOYSA-N |
Chemical Property Profile of 2-(2,2-Dimethylpropanoyl)-3-(benzylamino)prop-2-enenitrile
Property Insights of 2-(2,2-Dimethylpropanoyl)-3-(benzylamino)prop-2-enenitrile
The XLogP value of 3.5 indicates that 2-(2,2-Dimethylpropanoyl)-3-(benzylamino)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.9 Ų, 2-(2,2-Dimethylpropanoyl)-3-(benzylamino)prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,2-Dimethylpropanoyl)-3-(benzylamino)prop-2-enenitrile 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
What is the CAS number of 2-(2,2-Dimethylpropanoyl)-3-(benzylamino)prop-2-enenitrile?
The CAS number of 2-(2,2-Dimethylpropanoyl)-3-(benzylamino)prop-2-enenitrile is 1024622-53-4.
What is the molecular formula of 2-(2,2-Dimethylpropanoyl)-3-(benzylamino)prop-2-enenitrile?
The molecular formula of 2-(2,2-Dimethylpropanoyl)-3-(benzylamino)prop-2-enenitrile is C15H18N2O.
What is the molecular weight of 2-(2,2-Dimethylpropanoyl)-3-(benzylamino)prop-2-enenitrile?
The molecular weight of 2-(2,2-Dimethylpropanoyl)-3-(benzylamino)prop-2-enenitrile is 242.1419 g/mol.
Where can I buy 2-(2,2-Dimethylpropanoyl)-3-(benzylamino)prop-2-enenitrile?
You can request a quote for 2-(2,2-Dimethylpropanoyl)-3-(benzylamino)prop-2-enenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(2,2-Dimethylpropanoyl)-3-(benzylamino)prop-2-enenitrile?
Yes, CoreyChem provides custom synthesis services for 2-(2,2-Dimethylpropanoyl)-3-(benzylamino)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.