(E)-N-Isopropylacetaldimine
TL;DR: (E)-N-Isopropylacetaldimine (CAS 72037-49-1) is a chemical compound with molecular formula C5H11N and molecular weight 85.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-propan-2-ylethanimine
Also Known As: 1-isopropyliminoethane, isopropyliminoethane, (E)-N-Isopropylacetaldimine, N-Isopropylethanimine, N-propan-2-ylethanimine
| Molecular Formula | C5H11N |
|---|---|
| Molecular Weight | 85.09 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 12.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 85.08915 |
| Heavy Atoms | 6 |
| Complexity | 45.0 |
Chemical Identifiers
| CAS Number | 72037-49-1 |
|---|---|
| SMILES | CC=NC(C)C |
| InChIKey | MXOWOGWCSFJPNN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(E)-N-Isopropylacetaldimine (CAS 72037-49-1), with molecular formula C5H11N and molecular weight 85.09 g/mol. IUPAC: N-propan-2-ylethanimine.
Chemical Property Profile of (E)-N-Isopropylacetaldimine
Property Insights of (E)-N-Isopropylacetaldimine
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-N-Isopropylacetaldimine. With a topological polar surface area (TPSA) of 12.4 Ų, (E)-N-Isopropylacetaldimine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-N-Isopropylacetaldimine 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 (E)-N-Isopropylacetaldimine?
The CAS number of (E)-N-Isopropylacetaldimine is 72037-49-1.
What is the molecular formula of (E)-N-Isopropylacetaldimine?
The molecular formula of (E)-N-Isopropylacetaldimine is C5H11N.
What is the molecular weight of (E)-N-Isopropylacetaldimine?
The molecular weight of (E)-N-Isopropylacetaldimine is 85.09 g/mol.
Where can I buy (E)-N-Isopropylacetaldimine?
You can request a quote for (E)-N-Isopropylacetaldimine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-N-Isopropylacetaldimine?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-Isopropylacetaldimine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.