TL;DR: N-(3-(Cyclohexylamino)propyl)-2-methylalanine (CAS 90853-21-7) is a chemical compound with molecular formula C13H26N2O2 and molecular weight 242.19943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-(cyclohexylamino)propylamino]-2-methylpropanoic acid
Also Known As: N-(3-(CYCLOHEXYLAMINO)PROPYL)-2-METHYLALANINE, N-[3-(Cyclohexylamino)propyl]-2-methylalanine, J1.598.240C, 2-[3-(cyclohexylamino)propylamino]-2-methylpropanoic acid, 2-{[3-(CYCLOHEXYLAMINO)PROPYL]AMINO}-2-METHYLPROPANOIC ACID
| Molecular Formula | C13H26N2O2 |
| Molecular Weight | 242.19943 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 61.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 242.19943 Da |
| Heavy Atoms | 17 |
| Complexity | 236.0 |
| SMILES | CC(C)(C(=O)O)NCCCNC1CCCCC1 |
| InChIKey | JQGTVEYFZOMTCD-UHFFFAOYSA-N |
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-(Cyclohexylamino)propyl)-2-methylalanine. The TPSA of 61.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-(Cyclohexylamino)propyl)-2-methylalanine. Following Lipinski's Rule of Five, N-(3-(Cyclohexylamino)propyl)-2-methylalanine has 3 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 N-(3-(Cyclohexylamino)propyl)-2-methylalanine is 90853-21-7.
The molecular formula of N-(3-(Cyclohexylamino)propyl)-2-methylalanine is C13H26N2O2.
The molecular weight of N-(3-(Cyclohexylamino)propyl)-2-methylalanine is 242.19943 g/mol.
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