N-(6,6-dimethyl-2-hepten-4-ynyl)-1-naphthalenemethanamine
TL;DR: N-(6,6-dimethyl-2-hepten-4-ynyl)-1-naphthalenemethanamine (CAS 1246833-28-2) is a chemical compound with molecular formula C20H23N and molecular weight 277.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,6-dimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amine
Also Known As: N-Desmethyl Terbinafine, Demethylterbinafine-d7, N-Desmethyl cis-Terbinafine, N-(6,6-dimethyl-2-hepten-4-ynyl)-1-naphthalenemethanamine, (Z)-6,6-dimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amine
| Molecular Formula | C20H23N |
|---|---|
| Molecular Weight | 277.18 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 277.18304 |
| Heavy Atoms | 21 |
| Complexity | 401.0 |
Chemical Identifiers
| CAS Number | 1246833-28-2 |
|---|---|
| SMILES | CC(C)(C)C#CC=CCNCC1=CC=CC2=CC=CC=C21 |
| InChIKey | IZJZLXQHMWUCIC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(6,6-dimethyl-2-hepten-4-ynyl)-1-naphthalenemethanamine (CAS 1246833-28-2), with molecular formula C20H23N and molecular weight 277.18 g/mol. IUPAC: 6,6-dimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amine.
Chemical Property Profile of N-(6,6-dimethyl-2-hepten-4-ynyl)-1-naphthalenemethanamine
Property Insights of N-(6,6-dimethyl-2-hepten-4-ynyl)-1-naphthalenemethanamine
The XLogP value of 5.2 indicates that N-(6,6-dimethyl-2-hepten-4-ynyl)-1-naphthalenemethanamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.0 Ų, N-(6,6-dimethyl-2-hepten-4-ynyl)-1-naphthalenemethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(6,6-dimethyl-2-hepten-4-ynyl)-1-naphthalenemethanamine has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(6,6-dimethyl-2-hepten-4-ynyl)-1-naphthalenemethanamine?
The CAS number of N-(6,6-dimethyl-2-hepten-4-ynyl)-1-naphthalenemethanamine is 1246833-28-2.
What is the molecular formula of N-(6,6-dimethyl-2-hepten-4-ynyl)-1-naphthalenemethanamine?
The molecular formula of N-(6,6-dimethyl-2-hepten-4-ynyl)-1-naphthalenemethanamine is C20H23N.
What is the molecular weight of N-(6,6-dimethyl-2-hepten-4-ynyl)-1-naphthalenemethanamine?
The molecular weight of N-(6,6-dimethyl-2-hepten-4-ynyl)-1-naphthalenemethanamine is 277.18 g/mol.
Where can I buy N-(6,6-dimethyl-2-hepten-4-ynyl)-1-naphthalenemethanamine?
You can request a quote for N-(6,6-dimethyl-2-hepten-4-ynyl)-1-naphthalenemethanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(6,6-dimethyl-2-hepten-4-ynyl)-1-naphthalenemethanamine?
Yes, KEHONG BIO provides custom synthesis services for N-(6,6-dimethyl-2-hepten-4-ynyl)-1-naphthalenemethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.