4,5-dimethyl-1,3-di(propan-2-yl)-4,5-dihydroimidazol-1-ium

C11H23N2+ — CID 90822507

IUPAC4,5-dimethyl-1,3-di(propan-2-yl)-4,5-dihydroimidazol-1-ium
SMILESCC(C)N1C=[N+](C(C)C)C(C)C1C
InChIInChI=1S/C11H23N2/c1-8(2)12-7-13(9(3)4)11(6)10(12)5/h7-11H,1-6H3/q+1
InChIKeyDCFYJUPQJAIJNN-UHFFFAOYSA-N
MW183.32 g/mol
LogP1.94
Rot. Bonds2

About 4,5-dimethyl-1,3-di(propan-2-yl)-4,5-dihydroimidazol-1-ium

4,5-dimethyl-1,3-di(propan-2-yl)-4,5-dihydroimidazol-1-ium (PubChem CID 90822507) has the molecular formula C11H23N2+ and a molecular weight of 183.32 g/mol. Its IUPAC name is 4,5-dimethyl-1,3-di(propan-2-yl)-4,5-dihydroimidazol-1-ium.

Molecular Properties

Compound Name4,5-dimethyl-1,3-di(propan-2-yl)-4,5-dihydroimidazol-1-ium
PubChem CID90822507
Molecular FormulaC11H23N2+
Molecular Weight183.32 g/mol
Exact Mass183.19
IUPAC Name4,5-dimethyl-1,3-di(propan-2-yl)-4,5-dihydroimidazol-1-ium
SMILESCC(C)N1C=[N+](C(C)C)C(C)C1C
InChIInChI=1S/C11H23N2/c1-8(2)12-7-13(9(3)4)11(6)10(12)5/h7-11H,1-6H3/q+1
InChIKeyDCFYJUPQJAIJNN-UHFFFAOYSA-N
XLogP1.94
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 4,5-dimethyl-1,3-di(propan-2-yl)-4,5-dihydroimidazol-1-ium?
The IUPAC name of 4,5-dimethyl-1,3-di(propan-2-yl)-4,5-dihydroimidazol-1-ium (CID 90822507) is 4,5-dimethyl-1,3-di(propan-2-yl)-4,5-dihydroimidazol-1-ium.
What is the SMILES notation for 4,5-dimethyl-1,3-di(propan-2-yl)-4,5-dihydroimidazol-1-ium?
The canonical SMILES for 4,5-dimethyl-1,3-di(propan-2-yl)-4,5-dihydroimidazol-1-ium is CC(C)N1C=[N+](C(C)C)C(C)C1C.
What is the InChIKey of 4,5-dimethyl-1,3-di(propan-2-yl)-4,5-dihydroimidazol-1-ium?
The InChIKey is DCFYJUPQJAIJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N2/c1-8(2)12-7-13(9(3)4)11(6)10(12)5/h7-11H,1-6H3/q+1.
What are the key properties of 4,5-dimethyl-1,3-di(propan-2-yl)-4,5-dihydroimidazol-1-ium?
4,5-dimethyl-1,3-di(propan-2-yl)-4,5-dihydroimidazol-1-ium has a molecular weight of 183.32 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1,3-di(propan-2-yl)-4,5-dihydroimidazol-1-ium is sourced from PubChem (CID 90822507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).