N-(3-methylbutyl)diethylamine
TL;DR: N-(3-methylbutyl)diethylamine (CAS 4462-19-5) is a chemical compound with molecular formula C9H21N and molecular weight 143.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-3-methylbutan-1-amine
Also Known As: Diethyl isoamylamine, N-(3-methylbutyl)diethylamine, diethyl(3-methylbutyl)amine, 1-Butanamine, 3-methyl, N,N-diethyl, N,N-diethyl-3-methylbutan-1-amine
| Molecular Formula | C9H21N |
|---|---|
| Molecular Weight | 143.17 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 143.1674 |
| Heavy Atoms | 10 |
| Complexity | 65.0 |
Chemical Identifiers
| CAS Number | 4462-19-5 |
|---|---|
| SMILES | CCN(CC)CCC(C)C |
| InChIKey | FJPUTKPSUZLWMN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(3-methylbutyl)diethylamine (CAS 4462-19-5), with molecular formula C9H21N and molecular weight 143.17 g/mol. IUPAC: N,N-diethyl-3-methylbutan-1-amine.
Chemical Property Profile of N-(3-methylbutyl)diethylamine
Property Insights of N-(3-methylbutyl)diethylamine
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-methylbutyl)diethylamine. With a topological polar surface area (TPSA) of 3.2 Ų, N-(3-methylbutyl)diethylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-methylbutyl)diethylamine has 0 hydrogen bond donor(s) and 1 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-(3-methylbutyl)diethylamine?
The CAS number of N-(3-methylbutyl)diethylamine is 4462-19-5.
What is the molecular formula of N-(3-methylbutyl)diethylamine?
The molecular formula of N-(3-methylbutyl)diethylamine is C9H21N.
What is the molecular weight of N-(3-methylbutyl)diethylamine?
The molecular weight of N-(3-methylbutyl)diethylamine is 143.17 g/mol.
Where can I buy N-(3-methylbutyl)diethylamine?
You can request a quote for N-(3-methylbutyl)diethylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-methylbutyl)diethylamine?
Yes, KEHONG BIO provides custom synthesis services for N-(3-methylbutyl)diethylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.