2,2,3,4,4,5-hexamethylimidazolidin-1-ium 1-oxide

C9H19N2O+ — CID 91188326

IUPAC2,2,3,4,4,5-hexamethylimidazolidin-1-ium 1-oxide
SMILESCC1[N+](=O)C(C)(C)N(C)C1(C)C
InChIInChI=1S/C9H19N2O/c1-7-8(2,3)10(6)9(4,5)11(7)12/h7H,1-6H3/q+1
InChIKeyIZQUGQQYBNSCHU-UHFFFAOYSA-N
MW171.26 g/mol
LogP1.61
Rot. Bonds

About 2,2,3,4,4,5-hexamethylimidazolidin-1-ium 1-oxide

2,2,3,4,4,5-hexamethylimidazolidin-1-ium 1-oxide (PubChem CID 91188326) has the molecular formula C9H19N2O+ and a molecular weight of 171.26 g/mol. Its IUPAC name is 2,2,3,4,4,5-hexamethylimidazolidin-1-ium 1-oxide.

Molecular Properties

Compound Name2,2,3,4,4,5-hexamethylimidazolidin-1-ium 1-oxide
PubChem CID91188326
Molecular FormulaC9H19N2O+
Molecular Weight171.26 g/mol
Exact Mass171.15
IUPAC Name2,2,3,4,4,5-hexamethylimidazolidin-1-ium 1-oxide
SMILESCC1[N+](=O)C(C)(C)N(C)C1(C)C
InChIInChI=1S/C9H19N2O/c1-7-8(2,3)10(6)9(4,5)11(7)12/h7H,1-6H3/q+1
InChIKeyIZQUGQQYBNSCHU-UHFFFAOYSA-N
XLogP1.61
TPSA23.32 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 51.61
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 2,2,3,4,4,5-hexamethylimidazolidin-1-ium 1-oxide?
The IUPAC name of 2,2,3,4,4,5-hexamethylimidazolidin-1-ium 1-oxide (CID 91188326) is 2,2,3,4,4,5-hexamethylimidazolidin-1-ium 1-oxide.
What is the SMILES notation for 2,2,3,4,4,5-hexamethylimidazolidin-1-ium 1-oxide?
The canonical SMILES for 2,2,3,4,4,5-hexamethylimidazolidin-1-ium 1-oxide is CC1[N+](=O)C(C)(C)N(C)C1(C)C.
What is the InChIKey of 2,2,3,4,4,5-hexamethylimidazolidin-1-ium 1-oxide?
The InChIKey is IZQUGQQYBNSCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N2O/c1-7-8(2,3)10(6)9(4,5)11(7)12/h7H,1-6H3/q+1.
What are the key properties of 2,2,3,4,4,5-hexamethylimidazolidin-1-ium 1-oxide?
2,2,3,4,4,5-hexamethylimidazolidin-1-ium 1-oxide has a molecular weight of 171.26 g/mol, XLogP of 1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,4,4,5-hexamethylimidazolidin-1-ium 1-oxide is sourced from PubChem (CID 91188326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).