TL;DR: N,N'-Bis(2-pentyl)-ethylenediamine (CAS 88829-02-1) is a chemical compound with molecular formula C12H28N2 and molecular weight 200.22525 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N'-di(pentan-2-yl)ethane-1,2-diamine
Also Known As: N,N'-Bis(2-pentyl)-ethylenediamine, N,N'-Bis(2-pentyl)ethylenediamine, Ethylenediamine, N,N'-bis(1-methylbutyl)-, N,N'-di(pentan-2-yl)ethane-1,2-diamine, N,N'-Bis-(1-methyl-butyl)-aethylendiamin
| Molecular Formula | C12H28N2 |
| Molecular Weight | 200.22525 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 24.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 200.22525 Da |
| Heavy Atoms | 14 |
| Complexity | 101.0 |
| SMILES | CCCC(C)NCCNC(C)CCC |
| InChIKey | MEDKKMLZDPVMCW-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N'-Bis(2-pentyl)-ethylenediamine. With a topological polar surface area (TPSA) of 24.1 Ų, N,N'-Bis(2-pentyl)-ethylenediamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N'-Bis(2-pentyl)-ethylenediamine 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 N,N'-Bis(2-pentyl)-ethylenediamine is 88829-02-1.
The molecular formula of N,N'-Bis(2-pentyl)-ethylenediamine is C12H28N2.
The molecular weight of N,N'-Bis(2-pentyl)-ethylenediamine is 200.22525 g/mol.
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