2-ethyl-2-methyl-1-(3-methylbut-2-enyl)piperazine

C12H24N2 — CID 107901392

IUPAC2-ethyl-2-methyl-1-(3-methylbut-2-enyl)piperazine
SMILESCCC1(C)CNCCN1CC=C(C)C
InChIInChI=1S/C12H24N2/c1-5-12(4)10-13-7-9-14(12)8-6-11(2)3/h6,13H,5,7-10H2,1-4H3
InChIKeyVBKAVGOKAYECSR-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.03
Rot. Bonds3

About 2-ethyl-2-methyl-1-(3-methylbut-2-enyl)piperazine

2-ethyl-2-methyl-1-(3-methylbut-2-enyl)piperazine (PubChem CID 107901392) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 2-ethyl-2-methyl-1-(3-methylbut-2-enyl)piperazine.

Molecular Properties

Compound Name2-ethyl-2-methyl-1-(3-methylbut-2-enyl)piperazine
PubChem CID107901392
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name2-ethyl-2-methyl-1-(3-methylbut-2-enyl)piperazine
SMILESCCC1(C)CNCCN1CC=C(C)C
InChIInChI=1S/C12H24N2/c1-5-12(4)10-13-7-9-14(12)8-6-11(2)3/h6,13H,5,7-10H2,1-4H3
InChIKeyVBKAVGOKAYECSR-UHFFFAOYSA-N
XLogP2.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-1-(3-methylbut-2-enyl)piperazine?
The IUPAC name of 2-ethyl-2-methyl-1-(3-methylbut-2-enyl)piperazine (CID 107901392) is 2-ethyl-2-methyl-1-(3-methylbut-2-enyl)piperazine.
What is the SMILES notation for 2-ethyl-2-methyl-1-(3-methylbut-2-enyl)piperazine?
The canonical SMILES for 2-ethyl-2-methyl-1-(3-methylbut-2-enyl)piperazine is CCC1(C)CNCCN1CC=C(C)C.
What is the InChIKey of 2-ethyl-2-methyl-1-(3-methylbut-2-enyl)piperazine?
The InChIKey is VBKAVGOKAYECSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-5-12(4)10-13-7-9-14(12)8-6-11(2)3/h6,13H,5,7-10H2,1-4H3.
What are the key properties of 2-ethyl-2-methyl-1-(3-methylbut-2-enyl)piperazine?
2-ethyl-2-methyl-1-(3-methylbut-2-enyl)piperazine has a molecular weight of 196.34 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-1-(3-methylbut-2-enyl)piperazine is sourced from PubChem (CID 107901392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).