N,N-dimethoxymethanamine oxide

C3H9NO3 — CID 163873153

IUPACN,N-dimethoxymethanamine oxide
SMILESCO[N+](C)([O-])OC
InChIInChI=1S/C3H9NO3/c1-4(5,6-2)7-3/h1-3H3
InChIKeyLNOVRZKCFPHKGN-UHFFFAOYSA-N
MW107.11 g/mol
LogP0.05
Rot. Bonds2

About N,N-dimethoxymethanamine oxide

N,N-dimethoxymethanamine oxide (PubChem CID 163873153) has the molecular formula C3H9NO3 and a molecular weight of 107.11 g/mol. Its IUPAC name is N,N-dimethoxymethanamine oxide.

Molecular Properties

Compound NameN,N-dimethoxymethanamine oxide
PubChem CID163873153
Molecular FormulaC3H9NO3
Molecular Weight107.11 g/mol
Exact Mass107.06
IUPAC NameN,N-dimethoxymethanamine oxide
SMILESCO[N+](C)([O-])OC
InChIInChI=1S/C3H9NO3/c1-4(5,6-2)7-3/h1-3H3
InChIKeyLNOVRZKCFPHKGN-UHFFFAOYSA-N
XLogP0.05
TPSA41.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.11
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Related Compounds

N-Hydroxy-N-methoxymethanamine--hydrogen chloride (1/1)
CID 21957425
Methanamine, N-hydroxy-N-methoxy-
CID 11789125
N-methoxy-N-methylmethanamine oxide
CID 18929186
N,N-dimethoxymethanamine
CID 21645535
N-methoxy-N-sulfanyloxymethanamine
CID 59768173
N,N-dimethoxymethanamine;hydrochloride
CID 86234956
N-methoxy-N-[methoxy(methyl)amino]oxymethanamine
CID 89994934
N-[methoxy(methyl)amino]oxy-N-methylhydroxylamine
CID 89994935
N,N,1-trimethoxymethanamine
CID 152115979
Trimethoxy(methyl)azanium
CID 153179344
N-methoxy-N-(methoxymethyl)hydroxylamine
CID 157053972
Hydroxy-dimethoxy-methylazanium
CID 157645203

Frequently Asked Questions

What is the IUPAC name of N,N-dimethoxymethanamine oxide?
The IUPAC name of N,N-dimethoxymethanamine oxide (CID 163873153) is N,N-dimethoxymethanamine oxide.
What is the SMILES notation for N,N-dimethoxymethanamine oxide?
The canonical SMILES for N,N-dimethoxymethanamine oxide is CO[N+](C)([O-])OC.
What is the InChIKey of N,N-dimethoxymethanamine oxide?
The InChIKey is LNOVRZKCFPHKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO3/c1-4(5,6-2)7-3/h1-3H3.
What are the key properties of N,N-dimethoxymethanamine oxide?
N,N-dimethoxymethanamine oxide has a molecular weight of 107.11 g/mol, XLogP of 0.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethoxymethanamine oxide is sourced from PubChem (CID 163873153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).