3-Dibutylamino-1-propyne
TL;DR: 3-Dibutylamino-1-propyne (CAS 6336-58-9) is a chemical compound with molecular formula C11H21N and molecular weight 167.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-N-prop-2-ynylbutan-1-amine
Also Known As: 3-Dibutylamino-1-propyne, 3-dibutylaminopropyne, Dibutylpropargylamine, N,N-Dibutylpropargylamine, dibutylprop-2-ynylamine
| Molecular Formula | C11H21N |
|---|---|
| Molecular Weight | 167.17 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 167.1674 |
| Heavy Atoms | 12 |
| Complexity | 123.0 |
Chemical Identifiers
| CAS Number | 6336-58-9 |
|---|---|
| SMILES | CCCCN(CCCC)CC#C |
| InChIKey | XTEBRELWTGWYDE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Dibutylamino-1-propyne (CAS 6336-58-9), with molecular formula C11H21N and molecular weight 167.17 g/mol. IUPAC: N-butyl-N-prop-2-ynylbutan-1-amine.
Chemical Property Profile of 3-Dibutylamino-1-propyne
Property Insights of 3-Dibutylamino-1-propyne
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Dibutylamino-1-propyne. With a topological polar surface area (TPSA) of 3.2 Ų, 3-Dibutylamino-1-propyne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Dibutylamino-1-propyne has 0 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 3-Dibutylamino-1-propyne?
The CAS number of 3-Dibutylamino-1-propyne is 6336-58-9.
What is the molecular formula of 3-Dibutylamino-1-propyne?
The molecular formula of 3-Dibutylamino-1-propyne is C11H21N.
What is the molecular weight of 3-Dibutylamino-1-propyne?
The molecular weight of 3-Dibutylamino-1-propyne is 167.17 g/mol.
Where can I buy 3-Dibutylamino-1-propyne?
You can request a quote for 3-Dibutylamino-1-propyne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Dibutylamino-1-propyne?
Yes, KEHONG BIO provides custom synthesis services for 3-Dibutylamino-1-propyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.