N-(5,5-Dimethyl-3-hexyn-1-yl)-N-methyl-1-naphthalenemethanamine
TL;DR: N-(5,5-Dimethyl-3-hexyn-1-yl)-N-methyl-1-naphthalenemethanamine (CAS 104147-39-9) is a chemical compound with molecular formula C20H25N and molecular weight 279.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,5,5-trimethyl-N-(naphthalen-1-ylmethyl)hex-3-yn-1-amine
Also Known As: N-Dmhy-nmnh2, N-(5,5-Dimethylhex-3-yn-1-yl)-N-methyl-1-naphthalenemethanamine, N,5,5-trimethyl-N-(naphthalen-1-ylmethyl)hex-3-yn-1-amine, N-(5,5-Dimethyl-3-hexynyl)-N-methyl-1-naphthalenemethanamine, 1-Naphthalenemethanamine,N-(5,5-dimethyl-3-hexyn-1-yl)-N-methyl-
| Molecular Formula | C20H25N |
|---|---|
| Molecular Weight | 279.20 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 279.1987 |
| Heavy Atoms | 21 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 104147-39-9 |
|---|---|
| SMILES | CC(C)(C)C#CCCN(C)CC1=CC=CC2=CC=CC=C21 |
| InChIKey | NIWNQRYVOLRIML-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(5,5-Dimethyl-3-hexyn-1-yl)-N-methyl-1-naphthalenemethanamine (CAS 104147-39-9), with molecular formula C20H25N and molecular weight 279.20 g/mol. IUPAC: N,5,5-trimethyl-N-(naphthalen-1-ylmethyl)hex-3-yn-1-amine.
Chemical Property Profile of N-(5,5-Dimethyl-3-hexyn-1-yl)-N-methyl-1-naphthalenemethanamine
Property Insights of N-(5,5-Dimethyl-3-hexyn-1-yl)-N-methyl-1-naphthalenemethanamine
The XLogP value of 5.4 indicates that N-(5,5-Dimethyl-3-hexyn-1-yl)-N-methyl-1-naphthalenemethanamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, N-(5,5-Dimethyl-3-hexyn-1-yl)-N-methyl-1-naphthalenemethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(5,5-Dimethyl-3-hexyn-1-yl)-N-methyl-1-naphthalenemethanamine has 0 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-(5,5-Dimethyl-3-hexyn-1-yl)-N-methyl-1-naphthalenemethanamine?
The CAS number of N-(5,5-Dimethyl-3-hexyn-1-yl)-N-methyl-1-naphthalenemethanamine is 104147-39-9.
What is the molecular formula of N-(5,5-Dimethyl-3-hexyn-1-yl)-N-methyl-1-naphthalenemethanamine?
The molecular formula of N-(5,5-Dimethyl-3-hexyn-1-yl)-N-methyl-1-naphthalenemethanamine is C20H25N.
What is the molecular weight of N-(5,5-Dimethyl-3-hexyn-1-yl)-N-methyl-1-naphthalenemethanamine?
The molecular weight of N-(5,5-Dimethyl-3-hexyn-1-yl)-N-methyl-1-naphthalenemethanamine is 279.20 g/mol.
Where can I buy N-(5,5-Dimethyl-3-hexyn-1-yl)-N-methyl-1-naphthalenemethanamine?
You can request a quote for N-(5,5-Dimethyl-3-hexyn-1-yl)-N-methyl-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-(5,5-Dimethyl-3-hexyn-1-yl)-N-methyl-1-naphthalenemethanamine?
Yes, KEHONG BIO provides custom synthesis services for N-(5,5-Dimethyl-3-hexyn-1-yl)-N-methyl-1-naphthalenemethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.