2-butan-2-yl-5,5-diethyl-1-(3-methylbut-2-enyl)piperazine

C17H34N2 — CID 107901804

IUPAC2-butan-2-yl-5,5-diethyl-1-(3-methylbut-2-enyl)piperazine
SMILESCCC(C)C1CNC(CC)(CC)CN1CC=C(C)C
InChIInChI=1S/C17H34N2/c1-7-15(6)16-12-18-17(8-2,9-3)13-19(16)11-10-14(4)5/h10,15-16,18H,7-9,11-13H2,1-6H3
InChIKeyKMMVJVSSBRPNTK-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.83
Rot. Bonds6

About 2-butan-2-yl-5,5-diethyl-1-(3-methylbut-2-enyl)piperazine

2-butan-2-yl-5,5-diethyl-1-(3-methylbut-2-enyl)piperazine (PubChem CID 107901804) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 2-butan-2-yl-5,5-diethyl-1-(3-methylbut-2-enyl)piperazine.

Molecular Properties

Compound Name2-butan-2-yl-5,5-diethyl-1-(3-methylbut-2-enyl)piperazine
PubChem CID107901804
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name2-butan-2-yl-5,5-diethyl-1-(3-methylbut-2-enyl)piperazine
SMILESCCC(C)C1CNC(CC)(CC)CN1CC=C(C)C
InChIInChI=1S/C17H34N2/c1-7-15(6)16-12-18-17(8-2,9-3)13-19(16)11-10-14(4)5/h10,15-16,18H,7-9,11-13H2,1-6H3
InChIKeyKMMVJVSSBRPNTK-UHFFFAOYSA-N
XLogP3.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-butan-2-yl-5,5-diethyl-1-(3-methylbut-2-enyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-5,5-diethyl-1-(3-methylbut-2-enyl)piperazine?
The IUPAC name of 2-butan-2-yl-5,5-diethyl-1-(3-methylbut-2-enyl)piperazine (CID 107901804) is 2-butan-2-yl-5,5-diethyl-1-(3-methylbut-2-enyl)piperazine.
What is the SMILES notation for 2-butan-2-yl-5,5-diethyl-1-(3-methylbut-2-enyl)piperazine?
The canonical SMILES for 2-butan-2-yl-5,5-diethyl-1-(3-methylbut-2-enyl)piperazine is CCC(C)C1CNC(CC)(CC)CN1CC=C(C)C.
What is the InChIKey of 2-butan-2-yl-5,5-diethyl-1-(3-methylbut-2-enyl)piperazine?
The InChIKey is KMMVJVSSBRPNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-7-15(6)16-12-18-17(8-2,9-3)13-19(16)11-10-14(4)5/h10,15-16,18H,7-9,11-13H2,1-6H3.
What are the key properties of 2-butan-2-yl-5,5-diethyl-1-(3-methylbut-2-enyl)piperazine?
2-butan-2-yl-5,5-diethyl-1-(3-methylbut-2-enyl)piperazine has a molecular weight of 266.47 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-5,5-diethyl-1-(3-methylbut-2-enyl)piperazine is sourced from PubChem (CID 107901804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).