3-Amino-5,5-dimethyl-2-cyclohexen-1-one
TL;DR: 3-Amino-5,5-dimethyl-2-cyclohexen-1-one (CAS 33419-22-6) is a chemical compound with molecular formula CC1(CC(=CC(=O)C1)N)C and molecular weight 139.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-5,5-dimethylcyclohex-2-en-1-one
Also Known As: 3-amino-5,5-dimethylcyclohex-2-enone, 3-Amino-5,5-dimethyl-2-cyclohexen-1-one, 3-amino-5,5-dimethylcyclohex-2-en-1-one, 5,5-Dimethyl-3-aminocyclohex-2-enone, 2-Cyclohexenone, 3-amino-5,5-dimethyl-
| Molecular Formula | CC1(CC(=CC(=O)C1)N)C |
|---|---|
| Molecular Weight | 139.10 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 139.09972 |
| Heavy Atoms | 10 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 33419-22-6 |
|---|---|
| SMILES | CC1(CC(=CC(=O)C1)N)C |
| InChIKey | MTZNODTZOSBYJW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Amino-5,5-dimethyl-2-cyclohexen-1-one (CAS 33419-22-6), with molecular formula CC1(CC(=CC(=O)C1)N)C and molecular weight 139.10 g/mol. IUPAC: 3-amino-5,5-dimethylcyclohex-2-en-1-one.
Chemical Property Profile of 3-Amino-5,5-dimethyl-2-cyclohexen-1-one
Property Insights of 3-Amino-5,5-dimethyl-2-cyclohexen-1-one
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-5,5-dimethyl-2-cyclohexen-1-one. With a topological polar surface area (TPSA) of 43.1 Ų, 3-Amino-5,5-dimethyl-2-cyclohexen-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Amino-5,5-dimethyl-2-cyclohexen-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-Amino-5,5-dimethyl-2-cyclohexen-1-one?
The CAS number of 3-Amino-5,5-dimethyl-2-cyclohexen-1-one is 33419-22-6.
What is the molecular formula of 3-Amino-5,5-dimethyl-2-cyclohexen-1-one?
The molecular formula of 3-Amino-5,5-dimethyl-2-cyclohexen-1-one is CC1(CC(=CC(=O)C1)N)C.
What is the molecular weight of 3-Amino-5,5-dimethyl-2-cyclohexen-1-one?
The molecular weight of 3-Amino-5,5-dimethyl-2-cyclohexen-1-one is 139.10 g/mol.
Where can I buy 3-Amino-5,5-dimethyl-2-cyclohexen-1-one?
You can request a quote for 3-Amino-5,5-dimethyl-2-cyclohexen-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-Amino-5,5-dimethyl-2-cyclohexen-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-5,5-dimethyl-2-cyclohexen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.