1-Amino-3-ethyladamantane
TL;DR: 1-Amino-3-ethyladamantane (CAS 41100-45-2) is a chemical compound with molecular formula C12H21N and molecular weight 179.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyladamantan-1-amine
Also Known As: 3-ethyladamantan-1-amine, 1-Amino-3-ethyladamantane, (3-ethyl-1-adamantyl)amine, (3-ethyl-1-adamantyl)-amine, IFLab1_001352
| Molecular Formula | C12H21N |
|---|---|
| Molecular Weight | 179.17 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.1674 |
| Heavy Atoms | 13 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 41100-45-2 |
|---|---|
| SMILES | CCC12CC3CC(C1)CC(C3)(C2)N |
| InChIKey | OVQNSGBYKOJYBK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Amino-3-ethyladamantane (CAS 41100-45-2), with molecular formula C12H21N and molecular weight 179.17 g/mol. IUPAC: 3-ethyladamantan-1-amine.
Chemical Property Profile of 1-Amino-3-ethyladamantane
Property Insights of 1-Amino-3-ethyladamantane
The XLogP value of 3.4 indicates that 1-Amino-3-ethyladamantane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.0 Ų, 1-Amino-3-ethyladamantane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Amino-3-ethyladamantane has 1 hydrogen bond donor(s) and 1 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 1-Amino-3-ethyladamantane?
The CAS number of 1-Amino-3-ethyladamantane is 41100-45-2.
What is the molecular formula of 1-Amino-3-ethyladamantane?
The molecular formula of 1-Amino-3-ethyladamantane is C12H21N.
What is the molecular weight of 1-Amino-3-ethyladamantane?
The molecular weight of 1-Amino-3-ethyladamantane is 179.17 g/mol.
Where can I buy 1-Amino-3-ethyladamantane?
You can request a quote for 1-Amino-3-ethyladamantane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Amino-3-ethyladamantane?
Yes, KEHONG BIO provides custom synthesis services for 1-Amino-3-ethyladamantane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.