2-octyl-1,3-dipropylimidazol-1-ium

C17H33N2+ — CID 87811374

IUPAC2-octyl-1,3-dipropylimidazol-1-ium
SMILESCCCCCCCCc1n(CCC)cc[n+]1CCC
InChIInChI=1S/C17H33N2/c1-4-7-8-9-10-11-12-17-18(13-5-2)15-16-19(17)14-6-3/h15-16H,4-14H2,1-3H3/q+1
InChIKeyCRBLWCHIQACEAJ-UHFFFAOYSA-N
MW265.46 g/mol
LogP4.50
Rot. Bonds11

About 2-octyl-1,3-dipropylimidazol-1-ium

2-octyl-1,3-dipropylimidazol-1-ium (PubChem CID 87811374) has the molecular formula C17H33N2+ and a molecular weight of 265.46 g/mol. Its IUPAC name is 2-octyl-1,3-dipropylimidazol-1-ium.

Molecular Properties

Compound Name2-octyl-1,3-dipropylimidazol-1-ium
PubChem CID87811374
Molecular FormulaC17H33N2+
Molecular Weight265.46 g/mol
Exact Mass265.26
IUPAC Name2-octyl-1,3-dipropylimidazol-1-ium
SMILESCCCCCCCCc1n(CCC)cc[n+]1CCC
InChIInChI=1S/C17H33N2/c1-4-7-8-9-10-11-12-17-18(13-5-2)15-16-19(17)14-6-3/h15-16H,4-14H2,1-3H3/q+1
InChIKeyCRBLWCHIQACEAJ-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

1,3-dipropyl-2-tridecylimidazol-1-ium
CID 87806761
1-propyl-3-tetradecyl-2-tridecylimidazol-1-ium
CID 87809197
1-butyl-2-hexadecyl-3-propylimidazol-3-ium
CID 87808766
2-decyl-1-octyl-3-propylimidazol-3-ium
CID 87808677
1-propyl-3-tridecyl-2-undecylimidazol-1-ium
CID 87805373
2-heptadecyl-1-nonyl-3-propylimidazol-3-ium
CID 87811296
2-butyl-1-propyl-3-undecylimidazol-1-ium
CID 87805434
1-ethyl-2-hexyl-3-propylimidazol-3-ium
CID 87807866
1,2-di(nonadecyl)-3-octadecylimidazol-1-ium
CID 87807894
1-hexyl-3-pentadecyl-2-pentylimidazol-3-ium
CID 87897293
1-nonadecyl-3-pentyl-2-undecylimidazol-3-ium
CID 87810129
1-nonyl-2-octadecyl-3-tridecylimidazol-1-ium
CID 87810639

Frequently Asked Questions

What is the IUPAC name of 2-octyl-1,3-dipropylimidazol-1-ium?
The IUPAC name of 2-octyl-1,3-dipropylimidazol-1-ium (CID 87811374) is 2-octyl-1,3-dipropylimidazol-1-ium.
What is the SMILES notation for 2-octyl-1,3-dipropylimidazol-1-ium?
The canonical SMILES for 2-octyl-1,3-dipropylimidazol-1-ium is CCCCCCCCc1n(CCC)cc[n+]1CCC.
What is the InChIKey of 2-octyl-1,3-dipropylimidazol-1-ium?
The InChIKey is CRBLWCHIQACEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N2/c1-4-7-8-9-10-11-12-17-18(13-5-2)15-16-19(17)14-6-3/h15-16H,4-14H2,1-3H3/q+1.
What are the key properties of 2-octyl-1,3-dipropylimidazol-1-ium?
2-octyl-1,3-dipropylimidazol-1-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-octyl-1,3-dipropylimidazol-1-ium is sourced from PubChem (CID 87811374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).