TL;DR: 2-Ethyl-2-methyl-1-(morpholin-4-yl)hexan-1-one (CAS 13146-43-5) is a chemical compound with molecular formula C13H25NO2 and molecular weight 227.18852 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-ethyl-2-methyl-1-morpholin-4-ylhexan-1-one
Also Known As: 4-(2-Ethyl-2-methylhexanoyl)morpholine, Morpholinylamide methyl-ethyl caproique, Morpholine, 4-(2-ethyl-2-methylhexanoyl)-, 1-Hexanone, 2-ethyl-2-methyl-1-morpholino-, Morpholinylamide methyl-ethyl caproique [French]
| Molecular Formula | C13H25NO2 |
| Molecular Weight | 227.18852 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 227.18852 Da |
| Heavy Atoms | 16 |
| Complexity | 224.0 |
| SMILES | CCCCC(C)(CC)C(=O)N1CCOCC1 |
| InChIKey | AXZANOURTPQIGW-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethyl-2-methyl-1-(morpholin-4-yl)hexan-1-one. With a topological polar surface area (TPSA) of 29.5 Ų, 2-Ethyl-2-methyl-1-(morpholin-4-yl)hexan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethyl-2-methyl-1-(morpholin-4-yl)hexan-1-one has 0 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 2-Ethyl-2-methyl-1-(morpholin-4-yl)hexan-1-one is 13146-43-5.
The molecular formula of 2-Ethyl-2-methyl-1-(morpholin-4-yl)hexan-1-one is C13H25NO2.
The molecular weight of 2-Ethyl-2-methyl-1-(morpholin-4-yl)hexan-1-one is 227.18852 g/mol.
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