1-ethyl-3-(2-methylpropoxymethyl)imidazol-3-ium

C10H19N2O+ — CID 125115309

IUPAC1-ethyl-3-(2-methylpropoxymethyl)imidazol-3-ium
SMILESCCn1cc[n+](COCC(C)C)c1
InChIInChI=1S/C10H19N2O/c1-4-11-5-6-12(8-11)9-13-7-10(2)3/h5-6,8,10H,4,7,9H2,1-3H3/q+1
InChIKeyGRNQFWJPUSIFQU-UHFFFAOYSA-N
MW183.27 g/mol
LogP1.43
Rot. Bonds5

About 1-ethyl-3-(2-methylpropoxymethyl)imidazol-3-ium

1-ethyl-3-(2-methylpropoxymethyl)imidazol-3-ium (PubChem CID 125115309) has the molecular formula C10H19N2O+ and a molecular weight of 183.27 g/mol. Its IUPAC name is 1-ethyl-3-(2-methylpropoxymethyl)imidazol-3-ium.

Molecular Properties

Compound Name1-ethyl-3-(2-methylpropoxymethyl)imidazol-3-ium
PubChem CID125115309
Molecular FormulaC10H19N2O+
Molecular Weight183.27 g/mol
Exact Mass183.15
IUPAC Name1-ethyl-3-(2-methylpropoxymethyl)imidazol-3-ium
SMILESCCn1cc[n+](COCC(C)C)c1
InChIInChI=1S/C10H19N2O/c1-4-11-5-6-12(8-11)9-13-7-10(2)3/h5-6,8,10H,4,7,9H2,1-3H3/q+1
InChIKeyGRNQFWJPUSIFQU-UHFFFAOYSA-N
XLogP1.43
TPSA18.04 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-methylpropoxymethyl)imidazol-3-ium?
The IUPAC name of 1-ethyl-3-(2-methylpropoxymethyl)imidazol-3-ium (CID 125115309) is 1-ethyl-3-(2-methylpropoxymethyl)imidazol-3-ium.
What is the SMILES notation for 1-ethyl-3-(2-methylpropoxymethyl)imidazol-3-ium?
The canonical SMILES for 1-ethyl-3-(2-methylpropoxymethyl)imidazol-3-ium is CCn1cc[n+](COCC(C)C)c1.
What is the InChIKey of 1-ethyl-3-(2-methylpropoxymethyl)imidazol-3-ium?
The InChIKey is GRNQFWJPUSIFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N2O/c1-4-11-5-6-12(8-11)9-13-7-10(2)3/h5-6,8,10H,4,7,9H2,1-3H3/q+1.
What are the key properties of 1-ethyl-3-(2-methylpropoxymethyl)imidazol-3-ium?
1-ethyl-3-(2-methylpropoxymethyl)imidazol-3-ium has a molecular weight of 183.27 g/mol, XLogP of 1.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-methylpropoxymethyl)imidazol-3-ium is sourced from PubChem (CID 125115309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).