TL;DR: 3-({2-[(3-Oxocyclohex-1-en-1-yl)amino]ethyl}amino)cyclohex-2-en-1-one (CAS 1020252-36-1) is a chemical compound with molecular formula C14H20N2O2 and molecular weight 248.15248 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[2-[(3-oxocyclohexen-1-yl)amino]ethylamino]cyclohex-2-en-1-one
Also Known As: 3-({2-[(3-oxocyclohex-1-en-1-yl)amino]ethyl}amino)cyclohex-2-en-1-one, 3-[2-[(3-oxocyclohexen-1-yl)amino]ethylamino]cyclohex-2-en-1-one, 3-((2-((3-OXOCYCLOHEX-1-ENYL)AMINO)ETHYL)AMINO)CYCLOHEX-2-EN-1-ONE, 3-[2-[(3-oxo-1-cyclohexenyl)amino]ethylamino]cyclohex-2-en-1-one, 3-({2-[(3-oxo-1-cyclohexenyl)amino]ethyl}amino)-2-cyclohexen-1-one
| Molecular Formula | C14H20N2O2 |
| Molecular Weight | 248.15248 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 248.15248 Da |
| Heavy Atoms | 18 |
| Complexity | 359.0 |
| SMILES | C1CC(=CC(=O)C1)NCCNC2=CC(=O)CCC2 |
| InChIKey | IVZFHEUZJWNHRY-UHFFFAOYSA-N |
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-({2-[(3-Oxocyclohex-1-en-1-yl)amino]ethyl}amino)cyclohex-2-en-1-one. With a topological polar surface area (TPSA) of 58.2 Ų, 3-({2-[(3-Oxocyclohex-1-en-1-yl)amino]ethyl}amino)cyclohex-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-({2-[(3-Oxocyclohex-1-en-1-yl)amino]ethyl}amino)cyclohex-2-en-1-one has 2 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 3-({2-[(3-Oxocyclohex-1-en-1-yl)amino]ethyl}amino)cyclohex-2-en-1-one is 1020252-36-1.
The molecular formula of 3-({2-[(3-Oxocyclohex-1-en-1-yl)amino]ethyl}amino)cyclohex-2-en-1-one is C14H20N2O2.
The molecular weight of 3-({2-[(3-Oxocyclohex-1-en-1-yl)amino]ethyl}amino)cyclohex-2-en-1-one is 248.15248 g/mol.
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