Isopentylidene isopentylamine
TL;DR: Isopentylidene isopentylamine (CAS 35448-31-8) is a chemical compound with molecular formula C10H21N and molecular weight 155.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-N-(3-methylbutyl)butan-1-imine
Also Known As: isopentylideneisopentylamine, 1-Butanamine, 3-methyl-N-(3-methylbutylidene)-, N-isoamylidene-isoamylamine, Isoamyliden-isoamylamin, N-Isopentylideneisopentylamine
| Molecular Formula | C10H21N |
|---|---|
| Molecular Weight | 155.17 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 12.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 155.1674 |
| Heavy Atoms | 11 |
| Complexity | 103.0 |
| Density | 0.768-0.774 |
| Solubility | Insoluble in water; Soluble in heptane, triacetin |
| Refractive Index | 1.422-1.428 |
Chemical Identifiers
| CAS Number | 35448-31-8 |
|---|---|
| SMILES | CC(C)CCN=CCC(C)C |
| InChIKey | WYNULUURQZBBSK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopentylidene isopentylamine (CAS 35448-31-8), with molecular formula C10H21N and molecular weight 155.17 g/mol. IUPAC: 3-methyl-N-(3-methylbutyl)butan-1-imine.
Chemical Property Profile of Isopentylidene isopentylamine
Property Insights of Isopentylidene isopentylamine
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopentylidene isopentylamine. With a topological polar surface area (TPSA) of 12.4 Ų, Isopentylidene isopentylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopentylidene isopentylamine 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 Isopentylidene isopentylamine?
The CAS number of Isopentylidene isopentylamine is 35448-31-8.
What is the molecular formula of Isopentylidene isopentylamine?
The molecular formula of Isopentylidene isopentylamine is C10H21N.
What is the molecular weight of Isopentylidene isopentylamine?
The molecular weight of Isopentylidene isopentylamine is 155.17 g/mol.
Where can I buy Isopentylidene isopentylamine?
You can request a quote for Isopentylidene isopentylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopentylidene isopentylamine?
Yes, KEHONG BIO provides custom synthesis services for Isopentylidene isopentylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.