dimethoxy(dimethyl)azanium

C4H12NO2+ — CID 54090232

IUPACdimethoxy(dimethyl)azanium
SMILESCO[N+](C)(C)OC
InChIInChI=1S/C4H12NO2/c1-5(2,6-3)7-4/h1-4H3/q+1
InChIKeyUMVKWYHATWREQF-UHFFFAOYSA-N
MW106.14 g/mol
LogP0.19
Rot. Bonds2

About dimethoxy(dimethyl)azanium

dimethoxy(dimethyl)azanium (PubChem CID 54090232) has the molecular formula C4H12NO2+ and a molecular weight of 106.14 g/mol. Its IUPAC name is dimethoxy(dimethyl)azanium.

Molecular Properties

Compound Namedimethoxy(dimethyl)azanium
PubChem CID54090232
Molecular FormulaC4H12NO2+
Molecular Weight106.14 g/mol
Exact Mass106.09
IUPAC Namedimethoxy(dimethyl)azanium
SMILESCO[N+](C)(C)OC
InChIInChI=1S/C4H12NO2/c1-5(2,6-3)7-4/h1-4H3/q+1
InChIKeyUMVKWYHATWREQF-UHFFFAOYSA-N
XLogP0.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.14
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethoxy(dimethyl)azanium?
The IUPAC name of dimethoxy(dimethyl)azanium (CID 54090232) is dimethoxy(dimethyl)azanium.
What is the SMILES notation for dimethoxy(dimethyl)azanium?
The canonical SMILES for dimethoxy(dimethyl)azanium is CO[N+](C)(C)OC.
What is the InChIKey of dimethoxy(dimethyl)azanium?
The InChIKey is UMVKWYHATWREQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12NO2/c1-5(2,6-3)7-4/h1-4H3/q+1.
What are the key properties of dimethoxy(dimethyl)azanium?
dimethoxy(dimethyl)azanium has a molecular weight of 106.14 g/mol, XLogP of 0.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy(dimethyl)azanium is sourced from PubChem (CID 54090232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).