5,5-Dimethyl-3-i-butylamino-cyclohex-2-en-1-one
TL;DR: 5,5-Dimethyl-3-i-butylamino-cyclohex-2-en-1-one (CAS 82663-49-8) is a chemical compound with molecular formula C12H21NO and molecular weight 195.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-dimethyl-3-(2-methylpropylamino)cyclohex-2-en-1-one
Also Known As: 5,5-Dimethyl-3-i-butylamino-cyclohex-2-en-1-one, 5,5-dimethyl-3-(2-methylpropylamino)cyclohex-2-en-1-one, 5,5-Dimethyl-3-(isobutylamino)cyclohex-2-enone, J2.296.691J, 3-(Isobutylamino)-5,5-dimethyl-2-cyclohexene-1-one
| Molecular Formula | C12H21NO |
|---|---|
| Molecular Weight | 195.16 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 195.16231 |
| Heavy Atoms | 14 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 82663-49-8 |
|---|---|
| SMILES | CC(C)CNC1=CC(=O)CC(C1)(C)C |
| InChIKey | TWJANHDHUVWEPJ-UHFFFAOYSA-N |
Product Overview
5,5-Dimethyl-3-i-butylamino-cyclohex-2-en-1-one (CAS 82663-49-8), with molecular formula C12H21NO and molecular weight 195.16 g/mol. IUPAC: 5,5-dimethyl-3-(2-methylpropylamino)cyclohex-2-en-1-one.
Chemical Property Profile of 5,5-Dimethyl-3-i-butylamino-cyclohex-2-en-1-one
Property Insights of 5,5-Dimethyl-3-i-butylamino-cyclohex-2-en-1-one
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,5-Dimethyl-3-i-butylamino-cyclohex-2-en-1-one. With a topological polar surface area (TPSA) of 29.1 Ų, 5,5-Dimethyl-3-i-butylamino-cyclohex-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,5-Dimethyl-3-i-butylamino-cyclohex-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 5,5-Dimethyl-3-i-butylamino-cyclohex-2-en-1-one?
The CAS number of 5,5-Dimethyl-3-i-butylamino-cyclohex-2-en-1-one is 82663-49-8.
What is the molecular formula of 5,5-Dimethyl-3-i-butylamino-cyclohex-2-en-1-one?
The molecular formula of 5,5-Dimethyl-3-i-butylamino-cyclohex-2-en-1-one is C12H21NO.
What is the molecular weight of 5,5-Dimethyl-3-i-butylamino-cyclohex-2-en-1-one?
The molecular weight of 5,5-Dimethyl-3-i-butylamino-cyclohex-2-en-1-one is 195.16 g/mol.
Where can I buy 5,5-Dimethyl-3-i-butylamino-cyclohex-2-en-1-one?
You can request a quote for 5,5-Dimethyl-3-i-butylamino-cyclohex-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 5,5-Dimethyl-3-i-butylamino-cyclohex-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 5,5-Dimethyl-3-i-butylamino-cyclohex-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.