N-(2-Methylpropylidene)-butylamine
TL;DR: N-(2-Methylpropylidene)-butylamine (CAS 91076-41-4) is a chemical compound with molecular formula C8H17N and molecular weight 127.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-2-methylpropan-1-imine
Also Known As: isobutylidenebutylamine, isobutylidene butylamine, N-(2-Methylpropylidene)-butylamine, 2-methylpropylidenebutylamine, Butylamine, N-isobutylidene-
| Molecular Formula | C8H17N |
|---|---|
| Molecular Weight | 127.14 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 12.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 127.1361 |
| Heavy Atoms | 9 |
| Complexity | 74.0 |
Chemical Identifiers
| CAS Number | 91076-41-4 |
|---|---|
| SMILES | CCCCN=CC(C)C |
| InChIKey | ICXVVVQXAMOEJE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(2-Methylpropylidene)-butylamine (CAS 91076-41-4), with molecular formula C8H17N and molecular weight 127.14 g/mol. IUPAC: N-butyl-2-methylpropan-1-imine.
Chemical Property Profile of N-(2-Methylpropylidene)-butylamine
Property Insights of N-(2-Methylpropylidene)-butylamine
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-Methylpropylidene)-butylamine. With a topological polar surface area (TPSA) of 12.4 Ų, N-(2-Methylpropylidene)-butylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-Methylpropylidene)-butylamine 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-(2-Methylpropylidene)-butylamine?
The CAS number of N-(2-Methylpropylidene)-butylamine is 91076-41-4.
What is the molecular formula of N-(2-Methylpropylidene)-butylamine?
The molecular formula of N-(2-Methylpropylidene)-butylamine is C8H17N.
What is the molecular weight of N-(2-Methylpropylidene)-butylamine?
The molecular weight of N-(2-Methylpropylidene)-butylamine is 127.14 g/mol.
Where can I buy N-(2-Methylpropylidene)-butylamine?
You can request a quote for N-(2-Methylpropylidene)-butylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-Methylpropylidene)-butylamine?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Methylpropylidene)-butylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.