TL;DR: 2,4-Pentanediamine, 2-methyl- (CAS 21586-21-0) 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.
2-methylpentane-2,4-diamine
Also Known As: 2-methylpentane-2,4-diamine, 2,4-Pentanediamine, 2-methyl-, 2,4-Diamino-2-methylpentane, 2-Methyl-2,4-pentanediamine, 2, 2-methyl-
Top 5 of 13 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C6H16N2 |
| Molecular Weight | 116.13135 g/mol |
| XLogP | -0.2 |
| Topological Polar Surface Area (TPSA) | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 116.13135 Da |
| Heavy Atoms | 8 |
| Complexity | 68.0 |
| SMILES | CC(CC(C)(C)N)N |
| InChIKey | PCXAQLMRLMZKRL-UHFFFAOYSA-N |
The XLogP value of -0.2 indicates that 2,4-Pentanediamine, 2-methyl- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.0 Ų, 2,4-Pentanediamine, 2-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Pentanediamine, 2-methyl- 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 2,4-Pentanediamine, 2-methyl- is 21586-21-0.
The molecular formula of 2,4-Pentanediamine, 2-methyl- is C6H16N2.
The molecular weight of 2,4-Pentanediamine, 2-methyl- is 116.13135 g/mol.
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