3-(Aminomethyl)-3,5,5-trimethylcyclohexanone
TL;DR: 3-(Aminomethyl)-3,5,5-trimethylcyclohexanone (CAS 6972-53-8) is a chemical compound with molecular formula C10H19NO and molecular weight 169.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-one
Also Known As: 3-(aminomethyl)-3,5,5-trimethylcyclohexanone, 3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-one, Cyclohexanone,3-(aminomethyl)-3,5,5-trimethyl-, 3,3,5-Trimethyl-5-(aminomethyl)cyclohexanone
| Molecular Formula | C10H19NO |
|---|---|
| Molecular Weight | 169.15 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 169.14667 |
| Heavy Atoms | 12 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 6972-53-8 |
|---|---|
| SMILES | CC1(CC(=O)CC(C1)(C)CN)C |
| InChIKey | YNDAXWZSPDYMLA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Aminomethyl)-3,5,5-trimethylcyclohexanone (CAS 6972-53-8), with molecular formula C10H19NO and molecular weight 169.15 g/mol. IUPAC: 3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-one.
Chemical Property Profile of 3-(Aminomethyl)-3,5,5-trimethylcyclohexanone
Property Insights of 3-(Aminomethyl)-3,5,5-trimethylcyclohexanone
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Aminomethyl)-3,5,5-trimethylcyclohexanone. With a topological polar surface area (TPSA) of 43.1 Ų, 3-(Aminomethyl)-3,5,5-trimethylcyclohexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Aminomethyl)-3,5,5-trimethylcyclohexanone 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-(Aminomethyl)-3,5,5-trimethylcyclohexanone?
The CAS number of 3-(Aminomethyl)-3,5,5-trimethylcyclohexanone is 6972-53-8.
What is the molecular formula of 3-(Aminomethyl)-3,5,5-trimethylcyclohexanone?
The molecular formula of 3-(Aminomethyl)-3,5,5-trimethylcyclohexanone is C10H19NO.
What is the molecular weight of 3-(Aminomethyl)-3,5,5-trimethylcyclohexanone?
The molecular weight of 3-(Aminomethyl)-3,5,5-trimethylcyclohexanone is 169.15 g/mol.
Where can I buy 3-(Aminomethyl)-3,5,5-trimethylcyclohexanone?
You can request a quote for 3-(Aminomethyl)-3,5,5-trimethylcyclohexanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Aminomethyl)-3,5,5-trimethylcyclohexanone?
Yes, KEHONG BIO provides custom synthesis services for 3-(Aminomethyl)-3,5,5-trimethylcyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.