1-amino-N,N-dimethyl-1-oxomethanamine oxide

C3H8N2O2 — CID 150196587

IUPAC1-amino-N,N-dimethyl-1-oxomethanamine oxide
SMILESC[N+](C)([O-])C(N)=O
InChIInChI=1S/C3H8N2O2/c1-5(2,7)3(4)6/h1-2H3,(H2,4,6)
InChIKeyFOOQSHGKWPEUEY-UHFFFAOYSA-N
MW104.11 g/mol
LogP-0.36
Rot. Bonds

About 1-amino-N,N-dimethyl-1-oxomethanamine oxide

1-amino-N,N-dimethyl-1-oxomethanamine oxide (PubChem CID 150196587) has the molecular formula C3H8N2O2 and a molecular weight of 104.11 g/mol. Its IUPAC name is 1-amino-N,N-dimethyl-1-oxomethanamine oxide.

Molecular Properties

Compound Name1-amino-N,N-dimethyl-1-oxomethanamine oxide
PubChem CID150196587
Molecular FormulaC3H8N2O2
Molecular Weight104.11 g/mol
Exact Mass104.06
IUPAC Name1-amino-N,N-dimethyl-1-oxomethanamine oxide
SMILESC[N+](C)([O-])C(N)=O
InChIInChI=1S/C3H8N2O2/c1-5(2,7)3(4)6/h1-2H3,(H2,4,6)
InChIKeyFOOQSHGKWPEUEY-UHFFFAOYSA-N
XLogP-0.36
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.11
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
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 1-amino-N,N-dimethyl-1-oxomethanamine oxide?
The IUPAC name of 1-amino-N,N-dimethyl-1-oxomethanamine oxide (CID 150196587) is 1-amino-N,N-dimethyl-1-oxomethanamine oxide.
What is the SMILES notation for 1-amino-N,N-dimethyl-1-oxomethanamine oxide?
The canonical SMILES for 1-amino-N,N-dimethyl-1-oxomethanamine oxide is C[N+](C)([O-])C(N)=O.
What is the InChIKey of 1-amino-N,N-dimethyl-1-oxomethanamine oxide?
The InChIKey is FOOQSHGKWPEUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2O2/c1-5(2,7)3(4)6/h1-2H3,(H2,4,6).
What are the key properties of 1-amino-N,N-dimethyl-1-oxomethanamine oxide?
1-amino-N,N-dimethyl-1-oxomethanamine oxide has a molecular weight of 104.11 g/mol, XLogP of -0.36, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N,N-dimethyl-1-oxomethanamine oxide is sourced from PubChem (CID 150196587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).