(NE)-N-(3,5,5-trimethyl-1-cyclohex-2-enylidene)hydroxylamine
TL;DR: (NE)-N-(3,5,5-trimethyl-1-cyclohex-2-enylidene)hydroxylamine (CAS 3968-96-5) is a chemical compound with molecular formula C9H15NO and molecular weight 153.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,5,5-trimethylcyclohex-2-en-1-ylidene)hydroxylamine
Also Known As: isophorone oxime, 3,5,5-Trimethyl-2-cyclohexenone Oxime, 2-Cyclohexen-1-one,3,5,5-trimethyl-, oxime, (NE)-N-(3,5,5-trimethyl-1-cyclohex-2-enylidene)hydroxylamine, 2-Cyclohexen-1-one, 3,5,5-trimethyl-, oxime, (E)-
| Molecular Formula | C9H15NO |
|---|---|
| Molecular Weight | 153.12 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 32.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 153.11537 |
| Heavy Atoms | 11 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 3968-96-5 |
|---|---|
| SMILES | CC1=CC(=NO)CC(C1)(C)C |
| InChIKey | ZJOPWRYFFJYLHJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(NE)-N-(3,5,5-trimethyl-1-cyclohex-2-enylidene)hydroxylamine (CAS 3968-96-5), with molecular formula C9H15NO and molecular weight 153.12 g/mol. IUPAC: N-(3,5,5-trimethylcyclohex-2-en-1-ylidene)hydroxylamine.
Chemical Property Profile of (NE)-N-(3,5,5-trimethyl-1-cyclohex-2-enylidene)hydroxylamine
Property Insights of (NE)-N-(3,5,5-trimethyl-1-cyclohex-2-enylidene)hydroxylamine
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (NE)-N-(3,5,5-trimethyl-1-cyclohex-2-enylidene)hydroxylamine. With a topological polar surface area (TPSA) of 32.6 Ų, (NE)-N-(3,5,5-trimethyl-1-cyclohex-2-enylidene)hydroxylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (NE)-N-(3,5,5-trimethyl-1-cyclohex-2-enylidene)hydroxylamine has 1 hydrogen bond donor(s) and 2 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 (NE)-N-(3,5,5-trimethyl-1-cyclohex-2-enylidene)hydroxylamine?
The CAS number of (NE)-N-(3,5,5-trimethyl-1-cyclohex-2-enylidene)hydroxylamine is 3968-96-5.
What is the molecular formula of (NE)-N-(3,5,5-trimethyl-1-cyclohex-2-enylidene)hydroxylamine?
The molecular formula of (NE)-N-(3,5,5-trimethyl-1-cyclohex-2-enylidene)hydroxylamine is C9H15NO.
What is the molecular weight of (NE)-N-(3,5,5-trimethyl-1-cyclohex-2-enylidene)hydroxylamine?
The molecular weight of (NE)-N-(3,5,5-trimethyl-1-cyclohex-2-enylidene)hydroxylamine is 153.12 g/mol.
Where can I buy (NE)-N-(3,5,5-trimethyl-1-cyclohex-2-enylidene)hydroxylamine?
You can request a quote for (NE)-N-(3,5,5-trimethyl-1-cyclohex-2-enylidene)hydroxylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (NE)-N-(3,5,5-trimethyl-1-cyclohex-2-enylidene)hydroxylamine?
Yes, KEHONG BIO provides custom synthesis services for (NE)-N-(3,5,5-trimethyl-1-cyclohex-2-enylidene)hydroxylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.