TL;DR: 4-Methylpentane-1,2-diamine (CAS 156428-49-8) is a chemical compound with molecular formula C6H16N2 and molecular weight 116.13135 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methylpentane-1,2-diamine
Also Known As: 4-methylpentane-1,2-diamine, 1,2-diamino-4-methylpentane, 839-093-5, G59075
| Molecular Formula | C6H16N2 |
| Molecular Weight | 116.13135 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 116.13135 Da |
| Heavy Atoms | 8 |
| Complexity | 52.0 |
| SMILES | CC(C)CC(CN)N |
| InChIKey | LGNSOKKCXYBTOL-UHFFFAOYSA-N |
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylpentane-1,2-diamine. With a topological polar surface area (TPSA) of 52.0 Ų, 4-Methylpentane-1,2-diamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylpentane-1,2-diamine has 2 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 4-Methylpentane-1,2-diamine is 156428-49-8.
The molecular formula of 4-Methylpentane-1,2-diamine is C6H16N2.
The molecular weight of 4-Methylpentane-1,2-diamine is 116.13135 g/mol.
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