1,3,4,4,5-pentamethyl-1-oxidoimidazolidin-1-ium

C8H18N2O — CID 19866790

IUPAC1,3,4,4,5-pentamethyl-1-oxidoimidazolidin-1-ium
SMILESCC1C(C)(C)N(C)C[N+]1(C)[O-]
InChIInChI=1S/C8H18N2O/c1-7-8(2,3)9(4)6-10(7,5)11/h7H,6H2,1-5H3
InChIKeyZKDKWRQTOZFEGM-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.00
Rot. Bonds

About 1,3,4,4,5-pentamethyl-1-oxidoimidazolidin-1-ium

1,3,4,4,5-pentamethyl-1-oxidoimidazolidin-1-ium (PubChem CID 19866790) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 1,3,4,4,5-pentamethyl-1-oxidoimidazolidin-1-ium.

Molecular Properties

Compound Name1,3,4,4,5-pentamethyl-1-oxidoimidazolidin-1-ium
PubChem CID19866790
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name1,3,4,4,5-pentamethyl-1-oxidoimidazolidin-1-ium
SMILESCC1C(C)(C)N(C)C[N+]1(C)[O-]
InChIInChI=1S/C8H18N2O/c1-7-8(2,3)9(4)6-10(7,5)11/h7H,6H2,1-5H3
InChIKeyZKDKWRQTOZFEGM-UHFFFAOYSA-N
XLogP1.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3,4,4,5-pentamethyl-1-oxidoimidazolidin-1-ium?
The IUPAC name of 1,3,4,4,5-pentamethyl-1-oxidoimidazolidin-1-ium (CID 19866790) is 1,3,4,4,5-pentamethyl-1-oxidoimidazolidin-1-ium.
What is the SMILES notation for 1,3,4,4,5-pentamethyl-1-oxidoimidazolidin-1-ium?
The canonical SMILES for 1,3,4,4,5-pentamethyl-1-oxidoimidazolidin-1-ium is CC1C(C)(C)N(C)C[N+]1(C)[O-].
What is the InChIKey of 1,3,4,4,5-pentamethyl-1-oxidoimidazolidin-1-ium?
The InChIKey is ZKDKWRQTOZFEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-7-8(2,3)9(4)6-10(7,5)11/h7H,6H2,1-5H3.
What are the key properties of 1,3,4,4,5-pentamethyl-1-oxidoimidazolidin-1-ium?
1,3,4,4,5-pentamethyl-1-oxidoimidazolidin-1-ium has a molecular weight of 158.24 g/mol, XLogP of 1.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,4,5-pentamethyl-1-oxidoimidazolidin-1-ium is sourced from PubChem (CID 19866790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).