1-(4,4-dimethylpentan-2-yl)-2,3,4,5-tetramethylimidazol-3-ium

C14H27N2+ — CID 54362712

IUPAC1-(4,4-dimethylpentan-2-yl)-2,3,4,5-tetramethylimidazol-3-ium
SMILESCc1c(C)[n+](C)c(C)n1C(C)CC(C)(C)C
InChIInChI=1S/C14H27N2/c1-10(9-14(5,6)7)16-12(3)11(2)15(8)13(16)4/h10H,9H2,1-8H3/q+1
InChIKeyUNPUGTJFWYKLHT-UHFFFAOYSA-N
MW223.38 g/mol
LogP3.24
Rot. Bonds2

About 1-(4,4-dimethylpentan-2-yl)-2,3,4,5-tetramethylimidazol-3-ium

1-(4,4-dimethylpentan-2-yl)-2,3,4,5-tetramethylimidazol-3-ium (PubChem CID 54362712) has the molecular formula C14H27N2+ and a molecular weight of 223.38 g/mol. Its IUPAC name is 1-(4,4-dimethylpentan-2-yl)-2,3,4,5-tetramethylimidazol-3-ium.

Molecular Properties

Compound Name1-(4,4-dimethylpentan-2-yl)-2,3,4,5-tetramethylimidazol-3-ium
PubChem CID54362712
Molecular FormulaC14H27N2+
Molecular Weight223.38 g/mol
Exact Mass223.22
IUPAC Name1-(4,4-dimethylpentan-2-yl)-2,3,4,5-tetramethylimidazol-3-ium
SMILESCc1c(C)[n+](C)c(C)n1C(C)CC(C)(C)C
InChIInChI=1S/C14H27N2/c1-10(9-14(5,6)7)16-12(3)11(2)15(8)13(16)4/h10H,9H2,1-8H3/q+1
InChIKeyUNPUGTJFWYKLHT-UHFFFAOYSA-N
XLogP3.24
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(4,4-dimethylpentan-2-yl)-2,3,4,5-tetramethylimidazol-3-ium with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylpentan-2-yl)-2,3,4,5-tetramethylimidazol-3-ium?
The IUPAC name of 1-(4,4-dimethylpentan-2-yl)-2,3,4,5-tetramethylimidazol-3-ium (CID 54362712) is 1-(4,4-dimethylpentan-2-yl)-2,3,4,5-tetramethylimidazol-3-ium.
What is the SMILES notation for 1-(4,4-dimethylpentan-2-yl)-2,3,4,5-tetramethylimidazol-3-ium?
The canonical SMILES for 1-(4,4-dimethylpentan-2-yl)-2,3,4,5-tetramethylimidazol-3-ium is Cc1c(C)[n+](C)c(C)n1C(C)CC(C)(C)C.
What is the InChIKey of 1-(4,4-dimethylpentan-2-yl)-2,3,4,5-tetramethylimidazol-3-ium?
The InChIKey is UNPUGTJFWYKLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N2/c1-10(9-14(5,6)7)16-12(3)11(2)15(8)13(16)4/h10H,9H2,1-8H3/q+1.
What are the key properties of 1-(4,4-dimethylpentan-2-yl)-2,3,4,5-tetramethylimidazol-3-ium?
1-(4,4-dimethylpentan-2-yl)-2,3,4,5-tetramethylimidazol-3-ium has a molecular weight of 223.38 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylpentan-2-yl)-2,3,4,5-tetramethylimidazol-3-ium is sourced from PubChem (CID 54362712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).