N-(1-Methylethyl)-1-butanamine
TL;DR: N-(1-Methylethyl)-1-butanamine (CAS 4097-63-6) is a chemical compound with molecular formula CCCCNC(C)C and molecular weight 115.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-propan-2-ylbutan-1-amine
Also Known As: N-isopropylbutan-1-amine, Butylisopropylamine, N-Isopropylbutylamine, butyl(isopropyl)amine, Isopropylbutylamine
| Molecular Formula | CCCCNC(C)C |
|---|---|
| Molecular Weight | 115.14 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 115.1361 |
| Heavy Atoms | 8 |
| Complexity | 41.0 |
Chemical Identifiers
| CAS Number | 4097-63-6 |
|---|---|
| SMILES | CCCCNC(C)C |
| InChIKey | OKRJGUKZYSEUOY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(1-Methylethyl)-1-butanamine (CAS 4097-63-6), with molecular formula CCCCNC(C)C and molecular weight 115.14 g/mol. IUPAC: N-propan-2-ylbutan-1-amine.
Chemical Property Profile of N-(1-Methylethyl)-1-butanamine
Property Insights of N-(1-Methylethyl)-1-butanamine
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1-Methylethyl)-1-butanamine. With a topological polar surface area (TPSA) of 12.0 Ų, N-(1-Methylethyl)-1-butanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1-Methylethyl)-1-butanamine 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 N-(1-Methylethyl)-1-butanamine?
The CAS number of N-(1-Methylethyl)-1-butanamine is 4097-63-6.
What is the molecular formula of N-(1-Methylethyl)-1-butanamine?
The molecular formula of N-(1-Methylethyl)-1-butanamine is CCCCNC(C)C.
What is the molecular weight of N-(1-Methylethyl)-1-butanamine?
The molecular weight of N-(1-Methylethyl)-1-butanamine is 115.14 g/mol.
Where can I buy N-(1-Methylethyl)-1-butanamine?
You can request a quote for N-(1-Methylethyl)-1-butanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-Methylethyl)-1-butanamine?
Yes, KEHONG BIO provides custom synthesis services for N-(1-Methylethyl)-1-butanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.