N-ethylbut-2-en-1-imine
TL;DR: N-ethylbut-2-en-1-imine (CAS 3653-19-8) is a chemical compound with molecular formula C6H11N and molecular weight 97.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-ethylbut-2-en-1-imine
Also Known As: (E)-5-Azahepta-2,4-diene
| Molecular Formula | C6H11N |
|---|---|
| Molecular Weight | 97.09 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 12.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 97.08915 |
| Heavy Atoms | 7 |
| Complexity | 72.0 |
Chemical Identifiers
| CAS Number | 3653-19-8 |
|---|---|
| SMILES | CCN=CC=CC |
| InChIKey | RKNWIPJTFNGBHD-UHFFFAOYSA-N |
Product Overview
N-ethylbut-2-en-1-imine (CAS 3653-19-8), with molecular formula C6H11N and molecular weight 97.09 g/mol. IUPAC: N-ethylbut-2-en-1-imine.
Chemical Property Profile of N-ethylbut-2-en-1-imine
Property Insights of N-ethylbut-2-en-1-imine
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-ethylbut-2-en-1-imine. With a topological polar surface area (TPSA) of 12.4 Ų, N-ethylbut-2-en-1-imine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-ethylbut-2-en-1-imine 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-ethylbut-2-en-1-imine?
The CAS number of N-ethylbut-2-en-1-imine is 3653-19-8.
What is the molecular formula of N-ethylbut-2-en-1-imine?
The molecular formula of N-ethylbut-2-en-1-imine is C6H11N.
What is the molecular weight of N-ethylbut-2-en-1-imine?
The molecular weight of N-ethylbut-2-en-1-imine is 97.09 g/mol.
Where can I buy N-ethylbut-2-en-1-imine?
You can request a quote for N-ethylbut-2-en-1-imine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-ethylbut-2-en-1-imine?
Yes, KEHONG BIO provides custom synthesis services for N-ethylbut-2-en-1-imine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.