4-methyl-1-nonyl-1H-imidazol-1-ium

C13H25N2+ — CID 154104598

IUPAC4-methyl-1-nonyl-1H-imidazol-1-ium
SMILESCCCCCCCCC[NH+]1C=NC(C)=C1
InChIInChI=1S/C13H24N2/c1-3-4-5-6-7-8-9-10-15-11-13(2)14-12-15/h11-12H,3-10H2,1-2H3/p+1
InChIKeyWLOKJAFSPBXUCU-UHFFFAOYSA-O
MW209.36 g/mol
LogP2.53
Rot. Bonds8

About 4-methyl-1-nonyl-1H-imidazol-1-ium

4-methyl-1-nonyl-1H-imidazol-1-ium (PubChem CID 154104598) has the molecular formula C13H25N2+ and a molecular weight of 209.36 g/mol. Its IUPAC name is 4-methyl-1-nonyl-1H-imidazol-1-ium.

Molecular Properties

Compound Name4-methyl-1-nonyl-1H-imidazol-1-ium
PubChem CID154104598
Molecular FormulaC13H25N2+
Molecular Weight209.36 g/mol
Exact Mass209.20
IUPAC Name4-methyl-1-nonyl-1H-imidazol-1-ium
SMILESCCCCCCCCC[NH+]1C=NC(C)=C1
InChIInChI=1S/C13H24N2/c1-3-4-5-6-7-8-9-10-15-11-13(2)14-12-15/h11-12H,3-10H2,1-2H3/p+1
InChIKeyWLOKJAFSPBXUCU-UHFFFAOYSA-O
XLogP2.53
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-dodecyl-1H-imidazol-1-ium chloride
CID 11737372
1-octyl-1H-imidazol-1-ium chloride
CID 15801194
1-decyl-1H-imidazol-1-ium
CID 17841393
1-hexadecyl-4-methyl-1H-imidazol-1-ium chloride
CID 19880251
1-heptyl-1H-imidazol-1-ium iodide
CID 22476655
1-decyl-1H-imidazol-1-ium bromide
CID 23075134
1-hexadecyl-1H-imidazol-1-ium bromide
CID 66717879
1-octyl-1H-imidazol-1-ium iodide
CID 66863776
1-hexyl-2,4-dimethyl-1H-imidazol-1-ium iodide
CID 66987741
1-hexadecyl-4-methyl-1H-imidazol-1-ium iodide
CID 68109657
1-hexadecyl-4-methyl-1H-imidazol-1-ium bromide
CID 68109914
1-heptyl-1H-imidazol-1-ium chloride
CID 68469934

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-nonyl-1H-imidazol-1-ium?
The IUPAC name of 4-methyl-1-nonyl-1H-imidazol-1-ium (CID 154104598) is 4-methyl-1-nonyl-1H-imidazol-1-ium.
What is the SMILES notation for 4-methyl-1-nonyl-1H-imidazol-1-ium?
The canonical SMILES for 4-methyl-1-nonyl-1H-imidazol-1-ium is CCCCCCCCC[NH+]1C=NC(C)=C1.
What is the InChIKey of 4-methyl-1-nonyl-1H-imidazol-1-ium?
The InChIKey is WLOKJAFSPBXUCU-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H24N2/c1-3-4-5-6-7-8-9-10-15-11-13(2)14-12-15/h11-12H,3-10H2,1-2H3/p+1.
What are the key properties of 4-methyl-1-nonyl-1H-imidazol-1-ium?
4-methyl-1-nonyl-1H-imidazol-1-ium has a molecular weight of 209.36 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-nonyl-1H-imidazol-1-ium is sourced from PubChem (CID 154104598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).