3-((Tert-butyl)amino)-2-(2,2-dimethylpropanoyl)prop-2-enenitrile
TL;DR: 3-((Tert-butyl)amino)-2-(2,2-dimethylpropanoyl)prop-2-enenitrile (CAS 1025600-70-7) is a chemical compound with molecular formula C12H20N2O and molecular weight 208.15756 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(tert-butylamino)methylidene]-4,4-dimethyl-3-oxopentanenitrile
Also Known As: 3-((TERT-BUTYL)AMINO)-2-(2,2-DIMETHYLPROPANOYL)PROP-2-ENENITRILE, 2-[(tert-butylamino)methylene]-4,4-dimethyl-3-oxo-pentanenitrile, 2-[(tert-butylamino)methylidene]-4,4-dimethyl-3-oxopentanenitrile, 4,4-dimethyl-3-oxo-2-[(tert-butylamino)methylidene]pentanenitrile, (2Z)-2-[(tert-butylamino)methylidene]-4,4-dimethyl-3-oxopentanenitrile
Technical Specifications
| Molecular Formula | C12H20N2O |
| Molecular Weight | 208.15756 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 208.15756 Da |
| Heavy Atoms | 15 |
| Complexity | 318.0 |
| SMILES | CC(C)(C)C(=O)C(=CNC(C)(C)C)C#N |
| InChIKey | MIYKUQGFFPJPNS-UHFFFAOYSA-N |
Chemical Property Profile of 3-((Tert-butyl)amino)-2-(2,2-dimethylpropanoyl)prop-2-enenitrile
Property Insights of 3-((Tert-butyl)amino)-2-(2,2-dimethylpropanoyl)prop-2-enenitrile
The XLogP value of 3.0 indicates that 3-((Tert-butyl)amino)-2-(2,2-dimethylpropanoyl)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, 3-((Tert-butyl)amino)-2-(2,2-dimethylpropanoyl)prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-((Tert-butyl)amino)-2-(2,2-dimethylpropanoyl)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 3-((Tert-butyl)amino)-2-(2,2-dimethylpropanoyl)prop-2-enenitrile?
The CAS number of 3-((Tert-butyl)amino)-2-(2,2-dimethylpropanoyl)prop-2-enenitrile is 1025600-70-7.
What is the molecular formula of 3-((Tert-butyl)amino)-2-(2,2-dimethylpropanoyl)prop-2-enenitrile?
The molecular formula of 3-((Tert-butyl)amino)-2-(2,2-dimethylpropanoyl)prop-2-enenitrile is C12H20N2O.
What is the molecular weight of 3-((Tert-butyl)amino)-2-(2,2-dimethylpropanoyl)prop-2-enenitrile?
The molecular weight of 3-((Tert-butyl)amino)-2-(2,2-dimethylpropanoyl)prop-2-enenitrile is 208.15756 g/mol.
Where can I buy 3-((Tert-butyl)amino)-2-(2,2-dimethylpropanoyl)prop-2-enenitrile?
You can request a quote for 3-((Tert-butyl)amino)-2-(2,2-dimethylpropanoyl)prop-2-enenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-((Tert-butyl)amino)-2-(2,2-dimethylpropanoyl)prop-2-enenitrile?
Yes, CoreyChem provides custom synthesis services for 3-((Tert-butyl)amino)-2-(2,2-dimethylpropanoyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.