2-Butyn-1-amine, (3-azabicyclo(3.2.1)oct-3-yl-1,8,8-trimethyl)-N,N-diethyl-
TL;DR: 2-Butyn-1-amine, (3-azabicyclo(3.2.1)oct-3-yl-1,8,8-trimethyl)-N,N-diethyl- (CAS 49832-51-1) is a chemical compound with molecular formula C18H32N2 and molecular weight 276.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-4-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)but-2-yn-1-amine
Also Known As: trans-4,5-didehydro-neral, N,N-Diethyl-4-(1,8,8-trimethyl-3-azabicyclo(3.2.1)oct-3-yl)-2-butyn-1-amine, 2-Butyn-1-amine, (3-azabicyclo(3.2.1)oct-3-yl-1,8,8-trimethyl)-N,N-diethyl-, N,N-diethyl-4-(5,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)but-2-yn-1-amine, diethyl(4-{1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl}but-2-yn-1-yl)amine
| Molecular Formula | C18H32N2 |
|---|---|
| Molecular Weight | 276.26 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 6.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 276.25656 |
| Heavy Atoms | 20 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 49832-51-1 |
|---|---|
| SMILES | CCN(CC)CC#CCN1CC2CCC(C1)(C2(C)C)C |
| InChIKey | MHWFNYXJMLEDSD-UHFFFAOYSA-N |
Product Overview
2-Butyn-1-amine, (3-azabicyclo(3.2.1)oct-3-yl-1,8,8-trimethyl)-N,N-diethyl- (CAS 49832-51-1), with molecular formula C18H32N2 and molecular weight 276.26 g/mol. IUPAC: N,N-diethyl-4-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)but-2-yn-1-amine.
Chemical Property Profile of 2-Butyn-1-amine, (3-azabicyclo(3.2.1)oct-3-yl-1,8,8-trimethyl)-N,N-diethyl-
Property Insights of 2-Butyn-1-amine, (3-azabicyclo(3.2.1)oct-3-yl-1,8,8-trimethyl)-N,N-diethyl-
The XLogP value of 3.5 indicates that 2-Butyn-1-amine, (3-azabicyclo(3.2.1)oct-3-yl-1,8,8-trimethyl)-N,N-diethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 6.5 Ų, 2-Butyn-1-amine, (3-azabicyclo(3.2.1)oct-3-yl-1,8,8-trimethyl)-N,N-diethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butyn-1-amine, (3-azabicyclo(3.2.1)oct-3-yl-1,8,8-trimethyl)-N,N-diethyl- has 0 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 2-Butyn-1-amine, (3-azabicyclo(3.2.1)oct-3-yl-1,8,8-trimethyl)-N,N-diethyl-?
The CAS number of 2-Butyn-1-amine, (3-azabicyclo(3.2.1)oct-3-yl-1,8,8-trimethyl)-N,N-diethyl- is 49832-51-1.
What is the molecular formula of 2-Butyn-1-amine, (3-azabicyclo(3.2.1)oct-3-yl-1,8,8-trimethyl)-N,N-diethyl-?
The molecular formula of 2-Butyn-1-amine, (3-azabicyclo(3.2.1)oct-3-yl-1,8,8-trimethyl)-N,N-diethyl- is C18H32N2.
What is the molecular weight of 2-Butyn-1-amine, (3-azabicyclo(3.2.1)oct-3-yl-1,8,8-trimethyl)-N,N-diethyl-?
The molecular weight of 2-Butyn-1-amine, (3-azabicyclo(3.2.1)oct-3-yl-1,8,8-trimethyl)-N,N-diethyl- is 276.26 g/mol.
Where can I buy 2-Butyn-1-amine, (3-azabicyclo(3.2.1)oct-3-yl-1,8,8-trimethyl)-N,N-diethyl-?
You can request a quote for 2-Butyn-1-amine, (3-azabicyclo(3.2.1)oct-3-yl-1,8,8-trimethyl)-N,N-diethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butyn-1-amine, (3-azabicyclo(3.2.1)oct-3-yl-1,8,8-trimethyl)-N,N-diethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butyn-1-amine, (3-azabicyclo(3.2.1)oct-3-yl-1,8,8-trimethyl)-N,N-diethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.