2-ethyl-1-nonyl-3-propylimidazol-3-ium

C17H33N2+ — CID 87809758

IUPAC2-ethyl-1-nonyl-3-propylimidazol-3-ium
SMILESCCCCCCCCCn1cc[n+](CCC)c1CC
InChIInChI=1S/C17H33N2/c1-4-7-8-9-10-11-12-14-19-16-15-18(13-5-2)17(19)6-3/h15-16H,4-14H2,1-3H3/q+1
InChIKeyLMCLSTNMHXNLKB-UHFFFAOYSA-N
MW265.46 g/mol
LogP4.50
Rot. Bonds11

About 2-ethyl-1-nonyl-3-propylimidazol-3-ium

2-ethyl-1-nonyl-3-propylimidazol-3-ium (PubChem CID 87809758) has the molecular formula C17H33N2+ and a molecular weight of 265.46 g/mol. Its IUPAC name is 2-ethyl-1-nonyl-3-propylimidazol-3-ium.

Molecular Properties

Compound Name2-ethyl-1-nonyl-3-propylimidazol-3-ium
PubChem CID87809758
Molecular FormulaC17H33N2+
Molecular Weight265.46 g/mol
Exact Mass265.26
IUPAC Name2-ethyl-1-nonyl-3-propylimidazol-3-ium
SMILESCCCCCCCCCn1cc[n+](CCC)c1CC
InChIInChI=1S/C17H33N2/c1-4-7-8-9-10-11-12-14-19-16-15-18(13-5-2)17(19)6-3/h15-16H,4-14H2,1-3H3/q+1
InChIKeyLMCLSTNMHXNLKB-UHFFFAOYSA-N
XLogP4.50
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.46
LogP ≤ 54.50
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_1', 'substructure': 'N/A'}

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Related Compounds

1-decyl-2-ethyl-3-propylimidazol-3-ium
CID 87811634
2-ethyl-1-hexyl-3-propylimidazol-3-ium
CID 87811029
2-ethyl-1,3-di(heptadecyl)imidazol-1-ium
CID 87812027
2-ethyl-1-nonyl-3-tridecylimidazol-1-ium
CID 87807184
1-dodecyl-2-ethyl-3-heptadecylimidazol-3-ium
CID 87807846
2-ethyl-1-heptyl-3-hexylimidazol-1-ium
CID 87806997
1,3-didecyl-2-ethylimidazol-1-ium
CID 87895973
1-butyl-3-dodecyl-2-ethylimidazol-3-ium
CID 87809994
1-butyl-2-ethyl-3-undecylimidazol-3-ium
CID 87806473
2-decyl-1-octyl-3-propylimidazol-3-ium
CID 87808677
2-butyl-1-propyl-3-undecylimidazol-1-ium
CID 87805434
1-propyl-3-tetradecyl-2-tridecylimidazol-1-ium
CID 87809197

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-nonyl-3-propylimidazol-3-ium?
The IUPAC name of 2-ethyl-1-nonyl-3-propylimidazol-3-ium (CID 87809758) is 2-ethyl-1-nonyl-3-propylimidazol-3-ium.
What is the SMILES notation for 2-ethyl-1-nonyl-3-propylimidazol-3-ium?
The canonical SMILES for 2-ethyl-1-nonyl-3-propylimidazol-3-ium is CCCCCCCCCn1cc[n+](CCC)c1CC.
What is the InChIKey of 2-ethyl-1-nonyl-3-propylimidazol-3-ium?
The InChIKey is LMCLSTNMHXNLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N2/c1-4-7-8-9-10-11-12-14-19-16-15-18(13-5-2)17(19)6-3/h15-16H,4-14H2,1-3H3/q+1.
What are the key properties of 2-ethyl-1-nonyl-3-propylimidazol-3-ium?
2-ethyl-1-nonyl-3-propylimidazol-3-ium has a molecular weight of 265.46 g/mol, XLogP of 4.50, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-nonyl-3-propylimidazol-3-ium is sourced from PubChem (CID 87809758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).