3-(Hexylamino)-5,5-dimethylcyclohex-2-en-1-one
TL;DR: 3-(Hexylamino)-5,5-dimethylcyclohex-2-en-1-one (CAS 52909-80-5) is a chemical compound with molecular formula C14H25NO and molecular weight 223.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(hexylamino)-5,5-dimethylcyclohex-2-en-1-one
Also Known As: 3-(hexylamino)-5,5-dimethylcyclohex-2-en-1-one, 3-hexylamino-5,5-dimethylcyclohex-2-enone, 3-(hexylamino)-5,5-dimethyl-cyclohex-2-en-1-one, RefChem:275565
| Molecular Formula | C14H25NO |
|---|---|
| Molecular Weight | 223.19 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 223.19362 |
| Heavy Atoms | 16 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 52909-80-5 |
|---|---|
| SMILES | CCCCCCNC1=CC(=O)CC(C1)(C)C |
| InChIKey | VAYICQRVRPCADG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Hexylamino)-5,5-dimethylcyclohex-2-en-1-one (CAS 52909-80-5), with molecular formula C14H25NO and molecular weight 223.19 g/mol. IUPAC: 3-(hexylamino)-5,5-dimethylcyclohex-2-en-1-one.
Chemical Property Profile of 3-(Hexylamino)-5,5-dimethylcyclohex-2-en-1-one
Property Insights of 3-(Hexylamino)-5,5-dimethylcyclohex-2-en-1-one
The XLogP value of 3.8 indicates that 3-(Hexylamino)-5,5-dimethylcyclohex-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 3-(Hexylamino)-5,5-dimethylcyclohex-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Hexylamino)-5,5-dimethylcyclohex-2-en-1-one 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 3-(Hexylamino)-5,5-dimethylcyclohex-2-en-1-one?
The CAS number of 3-(Hexylamino)-5,5-dimethylcyclohex-2-en-1-one is 52909-80-5.
What is the molecular formula of 3-(Hexylamino)-5,5-dimethylcyclohex-2-en-1-one?
The molecular formula of 3-(Hexylamino)-5,5-dimethylcyclohex-2-en-1-one is C14H25NO.
What is the molecular weight of 3-(Hexylamino)-5,5-dimethylcyclohex-2-en-1-one?
The molecular weight of 3-(Hexylamino)-5,5-dimethylcyclohex-2-en-1-one is 223.19 g/mol.
Where can I buy 3-(Hexylamino)-5,5-dimethylcyclohex-2-en-1-one?
You can request a quote for 3-(Hexylamino)-5,5-dimethylcyclohex-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Hexylamino)-5,5-dimethylcyclohex-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(Hexylamino)-5,5-dimethylcyclohex-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.