TL;DR: 2-[(2-Methoxyethylamino)methylene]-4,4-dimethyl-3-oxo-pentanenitrile (CAS 1024775-62-9) is a chemical compound with molecular formula C11H18N2O2 and molecular weight 210.13683 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(2-methoxyethylamino)methylidene]-4,4-dimethyl-3-oxopentanenitrile
Also Known As: 2-(2,2-DIMETHYLPROPANOYL)-3-((2-METHOXYETHYL)AMINO)PROP-2-ENENITRILE, 2-[(2-methoxyethylamino)methylene]-4,4-dimethyl-3-oxo-pentanenitrile, 2-[(2-methoxyethylamino)methylidene]-4,4-dimethyl-3-oxo-pentanenitrile, 2-[(2-methoxyethylamino)methylidene]-4,4-dimethyl-3-oxopentanenitrile
| Molecular Formula | C11H18N2O2 |
| Molecular Weight | 210.13683 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 62.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 210.13683 Da |
| Heavy Atoms | 15 |
| Complexity | 291.0 |
| SMILES | CC(C)(C)C(=O)C(=CNCCOC)C#N |
| InChIKey | JEUBNXXPASCRLU-UHFFFAOYSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(2-Methoxyethylamino)methylene]-4,4-dimethyl-3-oxo-pentanenitrile. The TPSA of 62.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2-Methoxyethylamino)methylene]-4,4-dimethyl-3-oxo-pentanenitrile. Following Lipinski's Rule of Five, 2-[(2-Methoxyethylamino)methylene]-4,4-dimethyl-3-oxo-pentanenitrile has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-[(2-Methoxyethylamino)methylene]-4,4-dimethyl-3-oxo-pentanenitrile is 1024775-62-9.
The molecular formula of 2-[(2-Methoxyethylamino)methylene]-4,4-dimethyl-3-oxo-pentanenitrile is C11H18N2O2.
The molecular weight of 2-[(2-Methoxyethylamino)methylene]-4,4-dimethyl-3-oxo-pentanenitrile is 210.13683 g/mol.
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