2-ethyl-1-hexyl-3-propylimidazol-3-ium

C14H27N2+ — CID 87811029

IUPAC2-ethyl-1-hexyl-3-propylimidazol-3-ium
SMILESCCCCCCn1cc[n+](CCC)c1CC
InChIInChI=1S/C14H27N2/c1-4-7-8-9-11-16-13-12-15(10-5-2)14(16)6-3/h12-13H,4-11H2,1-3H3/q+1
InChIKeySCFDNAVXGYQQOV-UHFFFAOYSA-N
MW223.38 g/mol
LogP3.33
Rot. Bonds8

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

2-ethyl-1-hexyl-3-propylimidazol-3-ium (PubChem CID 87811029) has the molecular formula C14H27N2+ and a molecular weight of 223.38 g/mol. Its IUPAC name is 2-ethyl-1-hexyl-3-propylimidazol-3-ium.

Molecular Properties

Compound Name2-ethyl-1-hexyl-3-propylimidazol-3-ium
PubChem CID87811029
Molecular FormulaC14H27N2+
Molecular Weight223.38 g/mol
Exact Mass223.22
IUPAC Name2-ethyl-1-hexyl-3-propylimidazol-3-ium
SMILESCCCCCCn1cc[n+](CCC)c1CC
InChIInChI=1S/C14H27N2/c1-4-7-8-9-11-16-13-12-15(10-5-2)14(16)6-3/h12-13H,4-11H2,1-3H3/q+1
InChIKeySCFDNAVXGYQQOV-UHFFFAOYSA-N
XLogP3.33
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 53.33
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-nonyl-3-propylimidazol-3-ium
CID 87809758
1-dodecyl-2-ethyl-3-heptadecylimidazol-3-ium
CID 87807846
1,3-didecyl-2-ethylimidazol-1-ium
CID 87895973
2-ethyl-1-nonyl-3-tridecylimidazol-1-ium
CID 87807184
2-ethyl-1-heptyl-3-hexylimidazol-1-ium
CID 87806997
2-ethyl-1,3-di(heptadecyl)imidazol-1-ium
CID 87812027
1-butyl-2-ethyl-3-undecylimidazol-3-ium
CID 87806473
1-butyl-3-dodecyl-2-ethylimidazol-3-ium
CID 87809994
2-decyl-1-octyl-3-propylimidazol-3-ium
CID 87808677
1-propyl-3-tetradecyl-2-tridecylimidazol-1-ium
CID 87809197
2-butyl-1-propyl-3-undecylimidazol-1-ium
CID 87805434

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-hexyl-3-propylimidazol-3-ium?
The IUPAC name of 2-ethyl-1-hexyl-3-propylimidazol-3-ium (CID 87811029) is 2-ethyl-1-hexyl-3-propylimidazol-3-ium.
What is the SMILES notation for 2-ethyl-1-hexyl-3-propylimidazol-3-ium?
The canonical SMILES for 2-ethyl-1-hexyl-3-propylimidazol-3-ium is CCCCCCn1cc[n+](CCC)c1CC.
What is the InChIKey of 2-ethyl-1-hexyl-3-propylimidazol-3-ium?
The InChIKey is SCFDNAVXGYQQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N2/c1-4-7-8-9-11-16-13-12-15(10-5-2)14(16)6-3/h12-13H,4-11H2,1-3H3/q+1.
What are the key properties of 2-ethyl-1-hexyl-3-propylimidazol-3-ium?
2-ethyl-1-hexyl-3-propylimidazol-3-ium has a molecular weight of 223.38 g/mol, XLogP of 3.33, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-hexyl-3-propylimidazol-3-ium is sourced from PubChem (CID 87811029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).