3,5,5-Trimethylhexylamine
TL;DR: 3,5,5-Trimethylhexylamine (CAS 3378-63-0) 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.
3,5,5-trimethylhexan-1-amine
Also Known As: 3,5,5-trimethylhexan-1-amine, 3,5,5-Trimethylhexylamine, 1-Hexanamine, 3,5,5-trimethyl-, 3,5-Trimethylhexylamine, Hexylamine, 3,5,5-trimethyl-
| Molecular Formula | C9H21N |
|---|---|
| Molecular Weight | 143.17 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 143.1674 |
| Heavy Atoms | 10 |
| Complexity | 81.0 |
Chemical Identifiers
| CAS Number | 3378-63-0 |
|---|---|
| SMILES | CC(CCN)CC(C)(C)C |
| InChIKey | SIABJTQKCPDDKL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5,5-Trimethylhexylamine (CAS 3378-63-0), with molecular formula C9H21N and molecular weight 143.17 g/mol. IUPAC: 3,5,5-trimethylhexan-1-amine.
Chemical Property Profile of 3,5,5-Trimethylhexylamine
Property Insights of 3,5,5-Trimethylhexylamine
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5,5-Trimethylhexylamine. With a topological polar surface area (TPSA) of 26.0 Ų, 3,5,5-Trimethylhexylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5,5-Trimethylhexylamine has 1 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 3,5,5-Trimethylhexylamine?
The CAS number of 3,5,5-Trimethylhexylamine is 3378-63-0.
What is the molecular formula of 3,5,5-Trimethylhexylamine?
The molecular formula of 3,5,5-Trimethylhexylamine is C9H21N.
What is the molecular weight of 3,5,5-Trimethylhexylamine?
The molecular weight of 3,5,5-Trimethylhexylamine is 143.17 g/mol.
Where can I buy 3,5,5-Trimethylhexylamine?
You can request a quote for 3,5,5-Trimethylhexylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5,5-Trimethylhexylamine?
Yes, KEHONG BIO provides custom synthesis services for 3,5,5-Trimethylhexylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.