N,N-Diethyl-N'-methyl-1,3-propanediamine
TL;DR: N,N-Diethyl-N'-methyl-1,3-propanediamine (CAS 5459-95-0) is a chemical compound with molecular formula C8H20N2 and molecular weight 144.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N',N'-diethyl-N-methylpropane-1,3-diamine
Also Known As: N,N-Diethyl-N'-methyl-1,3-propanediamine, N,3-propanediamine, [3-(diethylamino)propyl](methyl)amine, N1,N1-Diethyl-N3-methyl-1,3-propanediamine, diethyl[3-(methylamino)propyl]amine
| Molecular Formula | C8H20N2 |
|---|---|
| Molecular Weight | 144.16 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 15.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 144.16264 |
| Heavy Atoms | 10 |
| Complexity | 60.0 |
Chemical Identifiers
| CAS Number | 5459-95-0 |
|---|---|
| SMILES | CCN(CC)CCCNC |
| InChIKey | SMJVVYQWUFKTKZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N,N-Diethyl-N'-methyl-1,3-propanediamine (CAS 5459-95-0), with molecular formula C8H20N2 and molecular weight 144.16 g/mol. IUPAC: N',N'-diethyl-N-methylpropane-1,3-diamine.
Chemical Property Profile of N,N-Diethyl-N'-methyl-1,3-propanediamine
Property Insights of N,N-Diethyl-N'-methyl-1,3-propanediamine
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-Diethyl-N'-methyl-1,3-propanediamine. With a topological polar surface area (TPSA) of 15.3 Ų, N,N-Diethyl-N'-methyl-1,3-propanediamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-Diethyl-N'-methyl-1,3-propanediamine has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N,N-Diethyl-N'-methyl-1,3-propanediamine?
The CAS number of N,N-Diethyl-N'-methyl-1,3-propanediamine is 5459-95-0.
What is the molecular formula of N,N-Diethyl-N'-methyl-1,3-propanediamine?
The molecular formula of N,N-Diethyl-N'-methyl-1,3-propanediamine is C8H20N2.
What is the molecular weight of N,N-Diethyl-N'-methyl-1,3-propanediamine?
The molecular weight of N,N-Diethyl-N'-methyl-1,3-propanediamine is 144.16 g/mol.
Where can I buy N,N-Diethyl-N'-methyl-1,3-propanediamine?
You can request a quote for N,N-Diethyl-N'-methyl-1,3-propanediamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-Diethyl-N'-methyl-1,3-propanediamine?
Yes, KEHONG BIO provides custom synthesis services for N,N-Diethyl-N'-methyl-1,3-propanediamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.