[(E)-hex-2-enyl]-dimethyl-(2-methylprop-2-enyl)azanium

C12H24N+ — CID 101372296

IUPAC[(E)-hex-2-enyl]-dimethyl-(2-methylprop-2-enyl)azanium
SMILESC=C(C)C[N+](C)(C)C/C=C/CCC
InChIInChI=1S/C12H24N/c1-6-7-8-9-10-13(4,5)11-12(2)3/h8-9H,2,6-7,10-11H2,1,3-5H3/q+1/b9-8+
InChIKeyOHASPEXYTUUIMQ-CMDGGOBGSA-N
MW182.33 g/mol
LogP3.00
Rot. Bonds6

About [(E)-hex-2-enyl]-dimethyl-(2-methylprop-2-enyl)azanium

[(E)-hex-2-enyl]-dimethyl-(2-methylprop-2-enyl)azanium (PubChem CID 101372296) has the molecular formula C12H24N+ and a molecular weight of 182.33 g/mol. Its IUPAC name is [(E)-hex-2-enyl]-dimethyl-(2-methylprop-2-enyl)azanium.

Molecular Properties

Compound Name[(E)-hex-2-enyl]-dimethyl-(2-methylprop-2-enyl)azanium
PubChem CID101372296
Molecular FormulaC12H24N+
Molecular Weight182.33 g/mol
Exact Mass182.19
IUPAC Name[(E)-hex-2-enyl]-dimethyl-(2-methylprop-2-enyl)azanium
SMILESC=C(C)C[N+](C)(C)C/C=C/CCC
InChIInChI=1S/C12H24N/c1-6-7-8-9-10-13(4,5)11-12(2)3/h8-9H,2,6-7,10-11H2,1,3-5H3/q+1/b9-8+
InChIKeyOHASPEXYTUUIMQ-CMDGGOBGSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.33
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-hex-2-enyl]-dimethyl-(2-methylprop-2-enyl)azanium?
The IUPAC name of [(E)-hex-2-enyl]-dimethyl-(2-methylprop-2-enyl)azanium (CID 101372296) is [(E)-hex-2-enyl]-dimethyl-(2-methylprop-2-enyl)azanium.
What is the SMILES notation for [(E)-hex-2-enyl]-dimethyl-(2-methylprop-2-enyl)azanium?
The canonical SMILES for [(E)-hex-2-enyl]-dimethyl-(2-methylprop-2-enyl)azanium is C=C(C)C[N+](C)(C)C/C=C/CCC.
What is the InChIKey of [(E)-hex-2-enyl]-dimethyl-(2-methylprop-2-enyl)azanium?
The InChIKey is OHASPEXYTUUIMQ-CMDGGOBGSA-N. The full InChI is InChI=1S/C12H24N/c1-6-7-8-9-10-13(4,5)11-12(2)3/h8-9H,2,6-7,10-11H2,1,3-5H3/q+1/b9-8+.
What are the key properties of [(E)-hex-2-enyl]-dimethyl-(2-methylprop-2-enyl)azanium?
[(E)-hex-2-enyl]-dimethyl-(2-methylprop-2-enyl)azanium has a molecular weight of 182.33 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-hex-2-enyl]-dimethyl-(2-methylprop-2-enyl)azanium is sourced from PubChem (CID 101372296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).