N,N-dimethyl(3-butenyl)amine
TL;DR: N,N-dimethyl(3-butenyl)amine (CAS 55831-89-5) is a chemical compound with molecular formula C6H13N and molecular weight 99.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethylbut-3-en-1-amine
Also Known As: N,N-dimethyl(3-butenyl)amine, 4-dimethylaminobutene-1, N,N-dimethylbut-3-en-1-amine, N,N-Dimethyl-3-buten-1-amine, N,N-Dimethyl-3-butenylamine
| Molecular Formula | C6H13N |
|---|---|
| Molecular Weight | 99.10 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 99.1048 |
| Heavy Atoms | 7 |
| Complexity | 48.0 |
Chemical Identifiers
| CAS Number | 55831-89-5 |
|---|---|
| SMILES | CN(C)CCC=C |
| InChIKey | GKTJBVBQYZOQNJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N,N-dimethyl(3-butenyl)amine (CAS 55831-89-5), with molecular formula C6H13N and molecular weight 99.10 g/mol. IUPAC: N,N-dimethylbut-3-en-1-amine.
Chemical Property Profile of N,N-dimethyl(3-butenyl)amine
Property Insights of N,N-dimethyl(3-butenyl)amine
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-dimethyl(3-butenyl)amine. With a topological polar surface area (TPSA) of 3.2 Ų, N,N-dimethyl(3-butenyl)amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-dimethyl(3-butenyl)amine 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,N-dimethyl(3-butenyl)amine?
The CAS number of N,N-dimethyl(3-butenyl)amine is 55831-89-5.
What is the molecular formula of N,N-dimethyl(3-butenyl)amine?
The molecular formula of N,N-dimethyl(3-butenyl)amine is C6H13N.
What is the molecular weight of N,N-dimethyl(3-butenyl)amine?
The molecular weight of N,N-dimethyl(3-butenyl)amine is 99.10 g/mol.
Where can I buy N,N-dimethyl(3-butenyl)amine?
You can request a quote for N,N-dimethyl(3-butenyl)amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-dimethyl(3-butenyl)amine?
Yes, KEHONG BIO provides custom synthesis services for N,N-dimethyl(3-butenyl)amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.