Adamantane-1,3-diyldimethanamine
TL;DR: Adamantane-1,3-diyldimethanamine (CAS 52234-21-6) is a chemical compound with molecular formula C12H22N2 and molecular weight 194.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(aminomethyl)-1-adamantyl]methanamine
Also Known As: Adamantane-1,3-diyldimethanamine, 1,3-Adamantanedimethanamine, TimTec1_004686, Adamantane-1,3-dimethaneamine, [3-(aminomethyl)-1-adamantyl]methanamine
| Molecular Formula | C12H22N2 |
|---|---|
| Molecular Weight | 194.18 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.1783 |
| Heavy Atoms | 14 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 52234-21-6 |
|---|---|
| SMILES | C1C2CC3(CC1CC(C2)(C3)CN)CN |
| InChIKey | RXEAFMOPSFWZFL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Adamantane-1,3-diyldimethanamine (CAS 52234-21-6), with molecular formula C12H22N2 and molecular weight 194.18 g/mol. IUPAC: [3-(aminomethyl)-1-adamantyl]methanamine.
Chemical Property Profile of Adamantane-1,3-diyldimethanamine
Property Insights of Adamantane-1,3-diyldimethanamine
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Adamantane-1,3-diyldimethanamine. With a topological polar surface area (TPSA) of 52.0 Ų, Adamantane-1,3-diyldimethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Adamantane-1,3-diyldimethanamine has 2 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 Adamantane-1,3-diyldimethanamine?
The CAS number of Adamantane-1,3-diyldimethanamine is 52234-21-6.
What is the molecular formula of Adamantane-1,3-diyldimethanamine?
The molecular formula of Adamantane-1,3-diyldimethanamine is C12H22N2.
What is the molecular weight of Adamantane-1,3-diyldimethanamine?
The molecular weight of Adamantane-1,3-diyldimethanamine is 194.18 g/mol.
Where can I buy Adamantane-1,3-diyldimethanamine?
You can request a quote for Adamantane-1,3-diyldimethanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Adamantane-1,3-diyldimethanamine?
Yes, KEHONG BIO provides custom synthesis services for Adamantane-1,3-diyldimethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.