TL;DR: 1-(Cyclopent-1-en-1-yl)-3-[(2-methylbut-3-yn-2-yl)amino]propan-1-one (CAS 1215332-45-8) is a chemical compound with molecular formula C13H19NO and molecular weight 205.14667 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(cyclopenten-1-yl)-3-(2-methylbut-3-yn-2-ylamino)propan-1-one
Also Known As: ZERO/005478, 1-(cyclopent-1-en-1-yl)-3-[(2-methylbut-3-yn-2-yl)amino]propan-1-one, 1-(cyclopenten-1-yl)-3-(2-methylbut-3-yn-2-ylamino)propan-1-one, 1-(cyclopenten-1-yl)-3-(1,1-dimethylprop-2-ynylamino)propan-1-one, 3-[(1,1-dimethylprop-2-ynyl)amino]-1-cyclopent-1-enylpropan-1-one
| Molecular Formula | C13H19NO |
| Molecular Weight | 205.14667 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 205.14667 Da |
| Heavy Atoms | 15 |
| Complexity | 317.0 |
| SMILES | CC(C)(C#C)NCCC(=O)C1=CCCC1 |
| InChIKey | SFPSMDSDLDLIEF-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Cyclopent-1-en-1-yl)-3-[(2-methylbut-3-yn-2-yl)amino]propan-1-one. With a topological polar surface area (TPSA) of 29.1 Ų, 1-(Cyclopent-1-en-1-yl)-3-[(2-methylbut-3-yn-2-yl)amino]propan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Cyclopent-1-en-1-yl)-3-[(2-methylbut-3-yn-2-yl)amino]propan-1-one has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-(Cyclopent-1-en-1-yl)-3-[(2-methylbut-3-yn-2-yl)amino]propan-1-one is 1215332-45-8.
The molecular formula of 1-(Cyclopent-1-en-1-yl)-3-[(2-methylbut-3-yn-2-yl)amino]propan-1-one is C13H19NO.
The molecular weight of 1-(Cyclopent-1-en-1-yl)-3-[(2-methylbut-3-yn-2-yl)amino]propan-1-one is 205.14667 g/mol.
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