TL;DR: N-(3-aminopropyl)-N-benzyl-N-ethylamine (CAS 137788-51-3) is a chemical compound with molecular formula C12H20N2 and molecular weight 192.16264 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N'-benzyl-N'-ethylpropane-1,3-diamine
Also Known As: N-(3-aminopropyl)-N-benzyl-N-ethylamine, (3-aminopropyl)(benzyl)ethylamine, N1-Benzyl-N1-ethylpropane-1,3-diamine, N'-benzyl-N'-ethylpropane-1,3-diamine, N*1*-Benzyl-N*1*-ethyl-propane-1,3-diamine
| Molecular Formula | C12H20N2 |
| Molecular Weight | 192.16264 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 29.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 192.16264 Da |
| Heavy Atoms | 14 |
| Complexity | 130.0 |
| SMILES | CCN(CCCN)CC1=CC=CC=C1 |
| InChIKey | VBARFWGILFILHY-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-aminopropyl)-N-benzyl-N-ethylamine. With a topological polar surface area (TPSA) of 29.3 Ų, N-(3-aminopropyl)-N-benzyl-N-ethylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-aminopropyl)-N-benzyl-N-ethylamine has 1 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-(3-aminopropyl)-N-benzyl-N-ethylamine is 137788-51-3.
The molecular formula of N-(3-aminopropyl)-N-benzyl-N-ethylamine is C12H20N2.
The molecular weight of N-(3-aminopropyl)-N-benzyl-N-ethylamine is 192.16264 g/mol.
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