N-methyloctan-3-imine
TL;DR: N-methyloctan-3-imine (CAS 18641-74-2) is a chemical compound with molecular formula C9H19N and molecular weight 141.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyloctan-3-imine
Also Known As: N-methyloctan-3-imine, Octan-3-on-methylimin, (3E)-N-Methyloctan-3-imine, Methylamine, N-(1-ethylhexylidene)-, N-[(E)-1-Ethylhexylidene]methanamine
| Molecular Formula | C9H19N |
|---|---|
| Molecular Weight | 141.15 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 12.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 141.15175 |
| Heavy Atoms | 10 |
| Complexity | 94.0 |
Chemical Identifiers
| CAS Number | 18641-74-2 |
|---|---|
| SMILES | CCCCCC(=NC)CC |
| InChIKey | MXINUNXNOUWKBK-UHFFFAOYSA-N |
Product Overview
N-methyloctan-3-imine (CAS 18641-74-2), with molecular formula C9H19N and molecular weight 141.15 g/mol. IUPAC: N-methyloctan-3-imine.
Chemical Property Profile of N-methyloctan-3-imine
Property Insights of N-methyloctan-3-imine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-methyloctan-3-imine. With a topological polar surface area (TPSA) of 12.4 Ų, N-methyloctan-3-imine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-methyloctan-3-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-methyloctan-3-imine?
The CAS number of N-methyloctan-3-imine is 18641-74-2.
What is the molecular formula of N-methyloctan-3-imine?
The molecular formula of N-methyloctan-3-imine is C9H19N.
What is the molecular weight of N-methyloctan-3-imine?
The molecular weight of N-methyloctan-3-imine is 141.15 g/mol.
Where can I buy N-methyloctan-3-imine?
You can request a quote for N-methyloctan-3-imine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-methyloctan-3-imine?
Yes, KEHONG BIO provides custom synthesis services for N-methyloctan-3-imine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.