TL;DR: 1,18-Diamino-5,9,14-triazaoctadecane (CAS 129225-32-7) is a chemical compound with molecular formula C15H37N5 and molecular weight 287.3049 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N'-[4-[3-(4-aminobutylamino)propylamino]butyl]butane-1,4-diamine
Also Known As: 1,18-Diamino-5,9,14-triazaoctadecane, N'-(4-Aminobutyl)canavalmine, (4-aminobutyl)[3-({4-[(4-aminobutyl)amino]butyl}amino)propyl]amine, N'-[4-[3-(4-aminobutylamino)propylamino]butyl]butane-1,4-diamine, N'-(4-aminobutyl)-N-[3-(4-aminobutylamino)propyl]butane-1,4-diamine
| Molecular Formula | C15H37N5 |
| Molecular Weight | 287.3049 g/mol |
| XLogP | -0.4 |
| Topological Polar Surface Area (TPSA) | 88.1 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 17 |
| Exact Mass | 287.3049 Da |
| Heavy Atoms | 20 |
| Complexity | 166.0 |
| SMILES | C(CCNCCCCNCCCNCCCCN)CN |
| InChIKey | ITSJFETYKWFREV-UHFFFAOYSA-N |
The XLogP value of -0.4 indicates that 1,18-Diamino-5,9,14-triazaoctadecane is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 88.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,18-Diamino-5,9,14-triazaoctadecane. Following Lipinski's Rule of Five, 1,18-Diamino-5,9,14-triazaoctadecane has 5 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1,18-Diamino-5,9,14-triazaoctadecane is 129225-32-7.
The molecular formula of 1,18-Diamino-5,9,14-triazaoctadecane is C15H37N5.
The molecular weight of 1,18-Diamino-5,9,14-triazaoctadecane is 287.3049 g/mol.
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