2-ethyl-1,1-dipentylimidazol-1-ium

C15H29N2+ — CID 70491942

IUPAC2-ethyl-1,1-dipentylimidazol-1-ium
SMILESCCCCC[N+]1(CCCCC)C=CN=C1CC
InChIInChI=1S/C15H29N2/c1-4-7-9-12-17(13-10-8-5-2)14-11-16-15(17)6-3/h11,14H,4-10,12-13H2,1-3H3/q+1
InChIKeyNXYGHDGTFCNEHT-UHFFFAOYSA-N
MW237.41 g/mol
LogP4.48
Rot. Bonds9

About 2-ethyl-1,1-dipentylimidazol-1-ium

2-ethyl-1,1-dipentylimidazol-1-ium (PubChem CID 70491942) has the molecular formula C15H29N2+ and a molecular weight of 237.41 g/mol. Its IUPAC name is 2-ethyl-1,1-dipentylimidazol-1-ium.

Molecular Properties

Compound Name2-ethyl-1,1-dipentylimidazol-1-ium
PubChem CID70491942
Molecular FormulaC15H29N2+
Molecular Weight237.41 g/mol
Exact Mass237.23
IUPAC Name2-ethyl-1,1-dipentylimidazol-1-ium
SMILESCCCCC[N+]1(CCCCC)C=CN=C1CC
InChIInChI=1S/C15H29N2/c1-4-7-9-12-17(13-10-8-5-2)14-11-16-15(17)6-3/h11,14H,4-10,12-13H2,1-3H3/q+1
InChIKeyNXYGHDGTFCNEHT-UHFFFAOYSA-N
XLogP4.48
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 54.48
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_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,1-dipentylimidazol-1-ium?
The IUPAC name of 2-ethyl-1,1-dipentylimidazol-1-ium (CID 70491942) is 2-ethyl-1,1-dipentylimidazol-1-ium.
What is the SMILES notation for 2-ethyl-1,1-dipentylimidazol-1-ium?
The canonical SMILES for 2-ethyl-1,1-dipentylimidazol-1-ium is CCCCC[N+]1(CCCCC)C=CN=C1CC.
What is the InChIKey of 2-ethyl-1,1-dipentylimidazol-1-ium?
The InChIKey is NXYGHDGTFCNEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N2/c1-4-7-9-12-17(13-10-8-5-2)14-11-16-15(17)6-3/h11,14H,4-10,12-13H2,1-3H3/q+1.
What are the key properties of 2-ethyl-1,1-dipentylimidazol-1-ium?
2-ethyl-1,1-dipentylimidazol-1-ium has a molecular weight of 237.41 g/mol, XLogP of 4.48, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,1-dipentylimidazol-1-ium is sourced from PubChem (CID 70491942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).