1-[(E)-5,5-dimethylhex-2-enyl]-4-methylpiperazine

C13H26N2 — CID 118531565

IUPAC1-[(E)-5,5-dimethylhex-2-enyl]-4-methylpiperazine
SMILESCN1CCN(C/C=C/CC(C)(C)C)CC1
InChIInChI=1S/C13H26N2/c1-13(2,3)7-5-6-8-15-11-9-14(4)10-12-15/h5-6H,7-12H2,1-4H3/b6-5+
InChIKeyVDSZVZMUJWJHPY-AATRIKPKSA-N
MW210.37 g/mol
LogP2.23
Rot. Bonds3

About 1-[(E)-5,5-dimethylhex-2-enyl]-4-methylpiperazine

1-[(E)-5,5-dimethylhex-2-enyl]-4-methylpiperazine (PubChem CID 118531565) has the molecular formula C13H26N2 and a molecular weight of 210.37 g/mol. Its IUPAC name is 1-[(E)-5,5-dimethylhex-2-enyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(E)-5,5-dimethylhex-2-enyl]-4-methylpiperazine
PubChem CID118531565
Molecular FormulaC13H26N2
Molecular Weight210.37 g/mol
Exact Mass210.21
IUPAC Name1-[(E)-5,5-dimethylhex-2-enyl]-4-methylpiperazine
SMILESCN1CCN(C/C=C/CC(C)(C)C)CC1
InChIInChI=1S/C13H26N2/c1-13(2,3)7-5-6-8-15-11-9-14(4)10-12-15/h5-6H,7-12H2,1-4H3/b6-5+
InChIKeyVDSZVZMUJWJHPY-AATRIKPKSA-N
XLogP2.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.37
LogP ≤ 52.23
H-Bond Donors ≤ 50
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 1-[(E)-5,5-dimethylhex-2-enyl]-4-methylpiperazine?
The IUPAC name of 1-[(E)-5,5-dimethylhex-2-enyl]-4-methylpiperazine (CID 118531565) is 1-[(E)-5,5-dimethylhex-2-enyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(E)-5,5-dimethylhex-2-enyl]-4-methylpiperazine?
The canonical SMILES for 1-[(E)-5,5-dimethylhex-2-enyl]-4-methylpiperazine is CN1CCN(C/C=C/CC(C)(C)C)CC1.
What is the InChIKey of 1-[(E)-5,5-dimethylhex-2-enyl]-4-methylpiperazine?
The InChIKey is VDSZVZMUJWJHPY-AATRIKPKSA-N. The full InChI is InChI=1S/C13H26N2/c1-13(2,3)7-5-6-8-15-11-9-14(4)10-12-15/h5-6H,7-12H2,1-4H3/b6-5+.
What are the key properties of 1-[(E)-5,5-dimethylhex-2-enyl]-4-methylpiperazine?
1-[(E)-5,5-dimethylhex-2-enyl]-4-methylpiperazine has a molecular weight of 210.37 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-5,5-dimethylhex-2-enyl]-4-methylpiperazine is sourced from PubChem (CID 118531565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).