2-dodecyl-1,1-dimethylimidazol-1-ium

C17H33N2+ — CID 67204780

IUPAC2-dodecyl-1,1-dimethylimidazol-1-ium
SMILESCCCCCCCCCCCCC1=NC=C[N+]1(C)C
InChIInChI=1S/C17H33N2/c1-4-5-6-7-8-9-10-11-12-13-14-17-18-15-16-19(17,2)3/h15-16H,4-14H2,1-3H3/q+1
InChIKeyDIIXECKKOWQROY-UHFFFAOYSA-N
MW265.46 g/mol
LogP5.26
Rot. Bonds11

About 2-dodecyl-1,1-dimethylimidazol-1-ium

2-dodecyl-1,1-dimethylimidazol-1-ium (PubChem CID 67204780) has the molecular formula C17H33N2+ and a molecular weight of 265.46 g/mol. Its IUPAC name is 2-dodecyl-1,1-dimethylimidazol-1-ium.

Molecular Properties

Compound Name2-dodecyl-1,1-dimethylimidazol-1-ium
PubChem CID67204780
Molecular FormulaC17H33N2+
Molecular Weight265.46 g/mol
Exact Mass265.26
IUPAC Name2-dodecyl-1,1-dimethylimidazol-1-ium
SMILESCCCCCCCCCCCCC1=NC=C[N+]1(C)C
InChIInChI=1S/C17H33N2/c1-4-5-6-7-8-9-10-11-12-13-14-17-18-15-16-19(17,2)3/h15-16H,4-14H2,1-3H3/q+1
InChIKeyDIIXECKKOWQROY-UHFFFAOYSA-N
XLogP5.26
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.46
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-dodecyl-1,1-dimethylimidazol-1-ium?
The IUPAC name of 2-dodecyl-1,1-dimethylimidazol-1-ium (CID 67204780) is 2-dodecyl-1,1-dimethylimidazol-1-ium.
What is the SMILES notation for 2-dodecyl-1,1-dimethylimidazol-1-ium?
The canonical SMILES for 2-dodecyl-1,1-dimethylimidazol-1-ium is CCCCCCCCCCCCC1=NC=C[N+]1(C)C.
What is the InChIKey of 2-dodecyl-1,1-dimethylimidazol-1-ium?
The InChIKey is DIIXECKKOWQROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N2/c1-4-5-6-7-8-9-10-11-12-13-14-17-18-15-16-19(17,2)3/h15-16H,4-14H2,1-3H3/q+1.
What are the key properties of 2-dodecyl-1,1-dimethylimidazol-1-ium?
2-dodecyl-1,1-dimethylimidazol-1-ium has a molecular weight of 265.46 g/mol, XLogP of 5.26, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecyl-1,1-dimethylimidazol-1-ium is sourced from PubChem (CID 67204780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).