1,1-Dimethylbutylamine
TL;DR: 1,1-Dimethylbutylamine (CAS 53310-02-4) is a chemical compound with molecular formula C6H15N and molecular weight 101.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpentan-2-amine
Also Known As: 1,1-Dimethylbutylamine, 2-methylpentan-2-amine, tert-HEXYLAMINE, dimethylbutanamine, 2-methyl-2-Pentanamine
| Molecular Formula | C6H15N |
|---|---|
| Molecular Weight | 101.12 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 101.12045 |
| Heavy Atoms | 7 |
| Complexity | 48.0 |
Chemical Identifiers
| CAS Number | 53310-02-4 |
|---|---|
| SMILES | CCCC(C)(C)N |
| InChIKey | KPNJYXKRHWAPHP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1-Dimethylbutylamine (CAS 53310-02-4), with molecular formula C6H15N and molecular weight 101.12 g/mol. IUPAC: 2-methylpentan-2-amine.
Chemical Property Profile of 1,1-Dimethylbutylamine
Property Insights of 1,1-Dimethylbutylamine
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Dimethylbutylamine. With a topological polar surface area (TPSA) of 26.0 Ų, 1,1-Dimethylbutylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Dimethylbutylamine 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 1,1-Dimethylbutylamine?
The CAS number of 1,1-Dimethylbutylamine is 53310-02-4.
What is the molecular formula of 1,1-Dimethylbutylamine?
The molecular formula of 1,1-Dimethylbutylamine is C6H15N.
What is the molecular weight of 1,1-Dimethylbutylamine?
The molecular weight of 1,1-Dimethylbutylamine is 101.12 g/mol.
Where can I buy 1,1-Dimethylbutylamine?
You can request a quote for 1,1-Dimethylbutylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dimethylbutylamine?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dimethylbutylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.