N-Isobutylideneisobutylamine
TL;DR: N-Isobutylideneisobutylamine (CAS 6898-82-4) 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.
2-methyl-N-(2-methylpropyl)propan-1-imine
Also Known As: N-Isobutylideneisobutylamine, N-i-butylidene-i-butylamine, N-isobutylidene-isobutylamine, N-Isobutylidene isobutylamine, isobutylidene -- isobutylamine
| Molecular Formula | C8H17N |
|---|---|
| Molecular Weight | 127.14 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 12.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 127.1361 |
| Heavy Atoms | 9 |
| Complexity | 82.0 |
Chemical Identifiers
| CAS Number | 6898-82-4 |
|---|---|
| SMILES | CC(C)CN=CC(C)C |
| InChIKey | SOJXDJJIMYWISJ-UHFFFAOYSA-N |
Product Overview
N-Isobutylideneisobutylamine (CAS 6898-82-4), with molecular formula C8H17N and molecular weight 127.14 g/mol. IUPAC: 2-methyl-N-(2-methylpropyl)propan-1-imine.
Chemical Property Profile of N-Isobutylideneisobutylamine
Property Insights of N-Isobutylideneisobutylamine
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Isobutylideneisobutylamine. With a topological polar surface area (TPSA) of 12.4 Ų, N-Isobutylideneisobutylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Isobutylideneisobutylamine 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-Isobutylideneisobutylamine?
The CAS number of N-Isobutylideneisobutylamine is 6898-82-4.
What is the molecular formula of N-Isobutylideneisobutylamine?
The molecular formula of N-Isobutylideneisobutylamine is C8H17N.
What is the molecular weight of N-Isobutylideneisobutylamine?
The molecular weight of N-Isobutylideneisobutylamine is 127.14 g/mol.
Where can I buy N-Isobutylideneisobutylamine?
You can request a quote for N-Isobutylideneisobutylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Isobutylideneisobutylamine?
Yes, KEHONG BIO provides custom synthesis services for N-Isobutylideneisobutylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.