3-ethyl-1-(2-methylbut-3-yn-2-yl)piperazine

C11H20N2 — CID 64954825

IUPAC3-ethyl-1-(2-methylbut-3-yn-2-yl)piperazine
SMILESC#CC(C)(C)N1CCNC(CC)C1
InChIInChI=1S/C11H20N2/c1-5-10-9-13(8-7-12-10)11(3,4)6-2/h2,10,12H,5,7-9H2,1,3-4H3
InChIKeyUHKXVOOPEMCTLH-UHFFFAOYSA-N
MW180.30 g/mol
LogP1.08
Rot. Bonds2

About 3-ethyl-1-(2-methylbut-3-yn-2-yl)piperazine

3-ethyl-1-(2-methylbut-3-yn-2-yl)piperazine (PubChem CID 64954825) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is 3-ethyl-1-(2-methylbut-3-yn-2-yl)piperazine.

Molecular Properties

Compound Name3-ethyl-1-(2-methylbut-3-yn-2-yl)piperazine
PubChem CID64954825
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC Name3-ethyl-1-(2-methylbut-3-yn-2-yl)piperazine
SMILESC#CC(C)(C)N1CCNC(CC)C1
InChIInChI=1S/C11H20N2/c1-5-10-9-13(8-7-12-10)11(3,4)6-2/h2,10,12H,5,7-9H2,1,3-4H3
InChIKeyUHKXVOOPEMCTLH-UHFFFAOYSA-N
XLogP1.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-benzyl-1-(2-methylbut-3-yn-2-yl)piperazine
CID 64951832
3-methyl-1-(2-methylbut-3-yn-2-yl)-1,4-diazepane
CID 64951213
3-ethyl-1-(3-methylpentan-3-yl)-1,4-diazepane
CID 106329845
1-but-3-yn-2-yl-3-ethylpiperazine
CID 114420428
3-ethyl-1-methylpiperazine;hydrochloride
CID 138111979
1-(3-methylpentan-3-yl)-3-propylpiperazine
CID 106329754
1-(2-bromoethyl)-3-ethylpiperazine
CID 173202340
1-(2-ethoxy-2-methylpropyl)-3-ethylpiperazine
CID 114944433
3-ethyl-1-(3-methoxy-3-methylbutyl)piperazine
CID 103016155
1-(2,3-dimethylcyclobutyl)-3-ethylpiperazine
CID 131183160
3-ethyl-1-(1-methylazetidin-3-yl)piperazine
CID 131042809
3,3-dimethyl-1-(2-methylbut-3-yn-2-yl)piperazine
CID 64954826

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-methylbut-3-yn-2-yl)piperazine?
The IUPAC name of 3-ethyl-1-(2-methylbut-3-yn-2-yl)piperazine (CID 64954825) is 3-ethyl-1-(2-methylbut-3-yn-2-yl)piperazine.
What is the SMILES notation for 3-ethyl-1-(2-methylbut-3-yn-2-yl)piperazine?
The canonical SMILES for 3-ethyl-1-(2-methylbut-3-yn-2-yl)piperazine is C#CC(C)(C)N1CCNC(CC)C1.
What is the InChIKey of 3-ethyl-1-(2-methylbut-3-yn-2-yl)piperazine?
The InChIKey is UHKXVOOPEMCTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-5-10-9-13(8-7-12-10)11(3,4)6-2/h2,10,12H,5,7-9H2,1,3-4H3.
What are the key properties of 3-ethyl-1-(2-methylbut-3-yn-2-yl)piperazine?
3-ethyl-1-(2-methylbut-3-yn-2-yl)piperazine has a molecular weight of 180.30 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-methylbut-3-yn-2-yl)piperazine is sourced from PubChem (CID 64954825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).