异丁醛乙基亚胺
TL;DR: 异丁醛乙基亚胺 (CAS 85838-90-0) 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.
异丁醛乙基亚胺
N-propan-2-ylpropan-1-imine
Also Known As: Isobutyraldehyde ethylimine, iso-C3H7N=CHCH2CH3, N-propylidene-isopropylamine, propionaldehyde isopropylimine, N-isopropylpropylideneamine
| Molecular Formula | C6H13N |
|---|---|
| Molecular Weight | 99.10 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 12.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 99.1048 |
| Heavy Atoms | 7 |
| Complexity | 55.0 |
Chemical Identifiers
| CAS Number | 85838-90-0 |
|---|---|
| SMILES | CCC=NC(C)C |
| InChIKey | MWNYUKAEXWNOHP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
异丁醛乙基亚胺 (CAS 85838-90-0), with molecular formula C6H13N and molecular weight 99.10 g/mol. IUPAC: N-propan-2-ylpropan-1-imine.
Chemical Property Profile of 异丁醛乙基亚胺
Property Insights of 异丁醛乙基亚胺
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 异丁醛乙基亚胺. With a topological polar surface area (TPSA) of 12.4 Ų, 异丁醛乙基亚胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 异丁醛乙基亚胺 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 异丁醛乙基亚胺?
The CAS number of 异丁醛乙基亚胺 is 85838-90-0.
What is the molecular formula of 异丁醛乙基亚胺?
The molecular formula of 异丁醛乙基亚胺 is C6H13N.
What is the molecular weight of 异丁醛乙基亚胺?
The molecular weight of 异丁醛乙基亚胺 is 99.10 g/mol.
Where can I buy 异丁醛乙基亚胺?
You can request a quote for 异丁醛乙基亚胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异丁醛乙基亚胺?
Yes, KEHONG BIO provides custom synthesis services for 异丁醛乙基亚胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.