dimethylaminooxy(dimethyl)azanium

C4H13N2O+ — CID 163727755

IUPACdimethylaminooxy(dimethyl)azanium
SMILESCN(C)O[NH+](C)C
InChIInChI=1S/C4H12N2O/c1-5(2)7-6(3)4/h1-4H3/p+1
InChIKeyKXAVXHYIOCQWIB-UHFFFAOYSA-O
MW105.16 g/mol
LogP-1.46
Rot. Bonds2

About dimethylaminooxy(dimethyl)azanium

dimethylaminooxy(dimethyl)azanium (PubChem CID 163727755) has the molecular formula C4H13N2O+ and a molecular weight of 105.16 g/mol. Its IUPAC name is dimethylaminooxy(dimethyl)azanium.

Molecular Properties

Compound Namedimethylaminooxy(dimethyl)azanium
PubChem CID163727755
Molecular FormulaC4H13N2O+
Molecular Weight105.16 g/mol
Exact Mass105.10
IUPAC Namedimethylaminooxy(dimethyl)azanium
SMILESCN(C)O[NH+](C)C
InChIInChI=1S/C4H12N2O/c1-5(2)7-6(3)4/h1-4H3/p+1
InChIKeyKXAVXHYIOCQWIB-UHFFFAOYSA-O
XLogP-1.46
TPSA16.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.16
LogP ≤ 5-1.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethylaminooxy(dimethyl)azanium?
The IUPAC name of dimethylaminooxy(dimethyl)azanium (CID 163727755) is dimethylaminooxy(dimethyl)azanium.
What is the SMILES notation for dimethylaminooxy(dimethyl)azanium?
The canonical SMILES for dimethylaminooxy(dimethyl)azanium is CN(C)O[NH+](C)C.
What is the InChIKey of dimethylaminooxy(dimethyl)azanium?
The InChIKey is KXAVXHYIOCQWIB-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H12N2O/c1-5(2)7-6(3)4/h1-4H3/p+1.
What are the key properties of dimethylaminooxy(dimethyl)azanium?
dimethylaminooxy(dimethyl)azanium has a molecular weight of 105.16 g/mol, XLogP of -1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylaminooxy(dimethyl)azanium is sourced from PubChem (CID 163727755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).