N-tert-butyl-3-methylbut-2-en-1-imine
TL;DR: N-tert-butyl-3-methylbut-2-en-1-imine (CAS 56637-64-0) is a chemical compound with molecular formula C9H17N and molecular weight 139.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-3-methylbut-2-en-1-imine
Also Known As: senecioaldehyde imine, N-TERT-BUTYL-3-METHYL-2-BUTENALDIMINE, N-tert-butyl-3-methylbut-2-en-1-imine, N-tert-Butyl-3-methyl-2-butene-1-imine, J1.079.549D
| Molecular Formula | C9H17N |
|---|---|
| Molecular Weight | 139.14 g/mol |
| LogP | 2.8219 |
| Topological Polar Surface Area | 12.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 139.1361 |
| Heavy Atoms | 10 |
| Complexity | 142.60143 |
Chemical Identifiers
| CAS Number | 56637-64-0 |
|---|---|
| SMILES | CC(=CC=NC(C)(C)C)C |
Product Overview
N-tert-butyl-3-methylbut-2-en-1-imine (CAS 56637-64-0), with molecular formula C9H17N and molecular weight 139.14 g/mol. IUPAC: N-tert-butyl-3-methylbut-2-en-1-imine.
Chemical Property Profile of N-tert-butyl-3-methylbut-2-en-1-imine
Property Insights of N-tert-butyl-3-methylbut-2-en-1-imine
The XLogP value of 2.8219 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-tert-butyl-3-methylbut-2-en-1-imine. With a topological polar surface area (TPSA) of 12.36 Ų, N-tert-butyl-3-methylbut-2-en-1-imine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-tert-butyl-3-methylbut-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-tert-butyl-3-methylbut-2-en-1-imine?
The CAS number of N-tert-butyl-3-methylbut-2-en-1-imine is 56637-64-0.
What is the molecular formula of N-tert-butyl-3-methylbut-2-en-1-imine?
The molecular formula of N-tert-butyl-3-methylbut-2-en-1-imine is C9H17N.
What is the molecular weight of N-tert-butyl-3-methylbut-2-en-1-imine?
The molecular weight of N-tert-butyl-3-methylbut-2-en-1-imine is 139.14 g/mol.
Where can I buy N-tert-butyl-3-methylbut-2-en-1-imine?
You can request a quote for N-tert-butyl-3-methylbut-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-tert-butyl-3-methylbut-2-en-1-imine?
Yes, KEHONG BIO provides custom synthesis services for N-tert-butyl-3-methylbut-2-en-1-imine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.