1-dodecyl-1-methylimidazol-1-ium

C16H31N2+ — CID 67283564

IUPAC1-dodecyl-1-methylimidazol-1-ium
SMILESCCCCCCCCCCCC[N+]1(C)C=CN=C1
InChIInChI=1S/C16H31N2/c1-3-4-5-6-7-8-9-10-11-12-14-18(2)15-13-17-16-18/h13,15-16H,3-12,14H2,1-2H3/q+1
InChIKeySUVYUOACTZAOCN-UHFFFAOYSA-N
MW251.44 g/mol
LogP4.87
Rot. Bonds11

About 1-dodecyl-1-methylimidazol-1-ium

1-dodecyl-1-methylimidazol-1-ium (PubChem CID 67283564) has the molecular formula C16H31N2+ and a molecular weight of 251.44 g/mol. Its IUPAC name is 1-dodecyl-1-methylimidazol-1-ium.

Molecular Properties

Compound Name1-dodecyl-1-methylimidazol-1-ium
PubChem CID67283564
Molecular FormulaC16H31N2+
Molecular Weight251.44 g/mol
Exact Mass251.25
IUPAC Name1-dodecyl-1-methylimidazol-1-ium
SMILESCCCCCCCCCCCC[N+]1(C)C=CN=C1
InChIInChI=1S/C16H31N2/c1-3-4-5-6-7-8-9-10-11-12-14-18(2)15-13-17-16-18/h13,15-16H,3-12,14H2,1-2H3/q+1
InChIKeySUVYUOACTZAOCN-UHFFFAOYSA-N
XLogP4.87
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 54.87
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 1-dodecyl-1-methylimidazol-1-ium?
The IUPAC name of 1-dodecyl-1-methylimidazol-1-ium (CID 67283564) is 1-dodecyl-1-methylimidazol-1-ium.
What is the SMILES notation for 1-dodecyl-1-methylimidazol-1-ium?
The canonical SMILES for 1-dodecyl-1-methylimidazol-1-ium is CCCCCCCCCCCC[N+]1(C)C=CN=C1.
What is the InChIKey of 1-dodecyl-1-methylimidazol-1-ium?
The InChIKey is SUVYUOACTZAOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N2/c1-3-4-5-6-7-8-9-10-11-12-14-18(2)15-13-17-16-18/h13,15-16H,3-12,14H2,1-2H3/q+1.
What are the key properties of 1-dodecyl-1-methylimidazol-1-ium?
1-dodecyl-1-methylimidazol-1-ium has a molecular weight of 251.44 g/mol, XLogP of 4.87, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyl-1-methylimidazol-1-ium is sourced from PubChem (CID 67283564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).