1-butyl-3-ethylimidazol-1-ium

C9H17N2+ — CID 10313448

IUPAC1-butyl-3-ethylimidazol-1-ium
SMILESCCCC[n+]1ccn(CC)c1
InChIInChI=1S/C9H17N2/c1-3-5-6-11-8-7-10(4-2)9-11/h7-9H,3-6H2,1-2H3/q+1
InChIKeyJYARJXBHOOZQQD-UHFFFAOYSA-N
MW153.25 g/mol
LogP1.60
Rot. Bonds4

About 1-butyl-3-ethylimidazol-1-ium

1-butyl-3-ethylimidazol-1-ium (PubChem CID 10313448) has the molecular formula C9H17N2+ and a molecular weight of 153.25 g/mol. Its IUPAC name is 1-butyl-3-ethylimidazol-1-ium.

Molecular Properties

Compound Name1-butyl-3-ethylimidazol-1-ium
PubChem CID10313448
Molecular FormulaC9H17N2+
Molecular Weight153.25 g/mol
Exact Mass153.14
IUPAC Name1-butyl-3-ethylimidazol-1-ium
SMILESCCCC[n+]1ccn(CC)c1
InChIInChI=1S/C9H17N2/c1-3-5-6-11-8-7-10(4-2)9-11/h7-9H,3-6H2,1-2H3/q+1
InChIKeyJYARJXBHOOZQQD-UHFFFAOYSA-N
XLogP1.60
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-butyl-3-ethylimidazol-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-3-nonadecylimidazol-3-ium
CID 87810884
1-ethyl-3-undecylimidazol-3-ium
CID 87807837
dodecakis(1-butyl-3-ethylimidazol-1-ium);hexakis(fluoro-dioxido-oxo-λ5-phosphane)
CID 173063485
1-butyl-3-ethylimidazol-1-ium;dibutyl phosphate
CID 86677013
dibutyl-chloro-[6-(3-ethylimidazol-1-ium-1-yl)hexyl]stannane
CID 50993122
4-(3-ethylimidazol-1-ium-1-yl)butanoic acid
CID 101204124
1-ethyl-3-(2-propylsulfonylethyl)imidazol-3-ium
CID 123248524
1-butyl-3-ethylimidazol-1-ium;4-methylbenzenesulfonate
CID 22251185
1-pentyl-3-tridecylimidazol-1-ium
CID 87806959
1-hexadecyl-3-tridecylimidazol-3-ium
CID 87897288
1-dodecyl-3-undecylimidazol-3-ium
CID 87811099
1-tetradecyl-3-[6-(3-tetradecylimidazol-3-ium-1-yl)hexyl]imidazol-1-ium
CID 102416106

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-ethylimidazol-1-ium?
The IUPAC name of 1-butyl-3-ethylimidazol-1-ium (CID 10313448) is 1-butyl-3-ethylimidazol-1-ium.
What is the SMILES notation for 1-butyl-3-ethylimidazol-1-ium?
The canonical SMILES for 1-butyl-3-ethylimidazol-1-ium is CCCC[n+]1ccn(CC)c1.
What is the InChIKey of 1-butyl-3-ethylimidazol-1-ium?
The InChIKey is JYARJXBHOOZQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N2/c1-3-5-6-11-8-7-10(4-2)9-11/h7-9H,3-6H2,1-2H3/q+1.
What are the key properties of 1-butyl-3-ethylimidazol-1-ium?
1-butyl-3-ethylimidazol-1-ium has a molecular weight of 153.25 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-ethylimidazol-1-ium is sourced from PubChem (CID 10313448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).