2,3-dimethyl-4-nonyl-1H-imidazol-3-ium

C14H27N2+ — CID 90008456

IUPAC2,3-dimethyl-4-nonyl-1H-imidazol-3-ium
SMILESCCCCCCCCCc1c[nH]c(C)[n+]1C
InChIInChI=1S/C14H26N2/c1-4-5-6-7-8-9-10-11-14-12-15-13(2)16(14)3/h12H,4-11H2,1-3H3/p+1
InChIKeyLWSNYYTWBYAKET-UHFFFAOYSA-O
MW223.38 g/mol
LogP3.44
Rot. Bonds8

About 2,3-dimethyl-4-nonyl-1H-imidazol-3-ium

2,3-dimethyl-4-nonyl-1H-imidazol-3-ium (PubChem CID 90008456) has the molecular formula C14H27N2+ and a molecular weight of 223.38 g/mol. Its IUPAC name is 2,3-dimethyl-4-nonyl-1H-imidazol-3-ium.

Molecular Properties

Compound Name2,3-dimethyl-4-nonyl-1H-imidazol-3-ium
PubChem CID90008456
Molecular FormulaC14H27N2+
Molecular Weight223.38 g/mol
Exact Mass223.22
IUPAC Name2,3-dimethyl-4-nonyl-1H-imidazol-3-ium
SMILESCCCCCCCCCc1c[nH]c(C)[n+]1C
InChIInChI=1S/C14H26N2/c1-4-5-6-7-8-9-10-11-14-12-15-13(2)16(14)3/h12H,4-11H2,1-3H3/p+1
InChIKeyLWSNYYTWBYAKET-UHFFFAOYSA-O
XLogP3.44
TPSA19.67 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

4-dodecyl-2,3-dimethyl-1H-imidazol-3-ium
CID 175999553
4-hexyl-2,3-dimethyl-1H-imidazol-3-ium iodide
CID 67530778
4-butyl-3-methyl-1H-imidazol-3-ium-2-sulfonate
CID 175814340
(2,3-dimethyl-1H-imidazol-3-ium-4-yl)-pentyldiazene
CID 137093498
3,4-dihexyl-1H-pyrrole
CID 67204335
2,3-dimethyl-5-tetradecyl-1H-imidazol-3-ium chloride
CID 141475875
2,3-dimethyl-5-octadecyl-1H-imidazol-3-ium chloride
CID 141475876
3-methyl-2-octadecyl-1H-imidazol-3-ium
CID 68727149
3-benzyl-4-dodecyl-2-ethyl-1H-imidazol-3-ium chloride
CID 70429845
1-methyl-2-tetradecylpyridin-1-ium bromide
CID 57359904
1-(3-hexadecyl-2-methyl-1H-imidazol-3-ium-4-yl)ethanol
CID 3008073
2-methyl-3-pentadecyl-1H-pyrrole
CID 173176418

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-nonyl-1H-imidazol-3-ium?
The IUPAC name of 2,3-dimethyl-4-nonyl-1H-imidazol-3-ium (CID 90008456) is 2,3-dimethyl-4-nonyl-1H-imidazol-3-ium.
What is the SMILES notation for 2,3-dimethyl-4-nonyl-1H-imidazol-3-ium?
The canonical SMILES for 2,3-dimethyl-4-nonyl-1H-imidazol-3-ium is CCCCCCCCCc1c[nH]c(C)[n+]1C.
What is the InChIKey of 2,3-dimethyl-4-nonyl-1H-imidazol-3-ium?
The InChIKey is LWSNYYTWBYAKET-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H26N2/c1-4-5-6-7-8-9-10-11-14-12-15-13(2)16(14)3/h12H,4-11H2,1-3H3/p+1.
What are the key properties of 2,3-dimethyl-4-nonyl-1H-imidazol-3-ium?
2,3-dimethyl-4-nonyl-1H-imidazol-3-ium has a molecular weight of 223.38 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-nonyl-1H-imidazol-3-ium is sourced from PubChem (CID 90008456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).