TL;DR: (3-Amino-1-(2-aminoethyl)-1-methylpropyl)(hydroxy)azane oxide (CAS 13155-43-6) is a chemical compound with molecular formula C6H15N3O2 and molecular weight 161.11642 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methyl-3-nitropentane-1,5-diamine
Also Known As: NCIStruc1_001973, NCIStruc2_000927, 3-methyl-3-nitropentane-1,5-diamine, (3-Amino-1-(2-aminoethyl)-1-methylpropyl)(hydroxy)azane oxide, 3-methyl-3-nitro-pentane-1,5-diamine
| Molecular Formula | C6H15N3O2 |
| Molecular Weight | 161.11642 g/mol |
| XLogP | -0.9 |
| Topological Polar Surface Area (TPSA) | 97.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 161.11642 Da |
| Heavy Atoms | 11 |
| Complexity | 126.0 |
| SMILES | CC(CCN)(CCN)[N+](=O)[O-] |
| InChIKey | MYHHVTMSAVBSOB-UHFFFAOYSA-N |
The XLogP value of -0.9 indicates that (3-Amino-1-(2-aminoethyl)-1-methylpropyl)(hydroxy)azane oxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 97.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Amino-1-(2-aminoethyl)-1-methylpropyl)(hydroxy)azane oxide. Following Lipinski's Rule of Five, (3-Amino-1-(2-aminoethyl)-1-methylpropyl)(hydroxy)azane oxide has 2 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 (3-Amino-1-(2-aminoethyl)-1-methylpropyl)(hydroxy)azane oxide is 13155-43-6.
The molecular formula of (3-Amino-1-(2-aminoethyl)-1-methylpropyl)(hydroxy)azane oxide is C6H15N3O2.
The molecular weight of (3-Amino-1-(2-aminoethyl)-1-methylpropyl)(hydroxy)azane oxide is 161.11642 g/mol.
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