N-methyl-N-(methylamino)methanamine oxide

C3H10N2O — CID 163640292

IUPACN-methyl-N-(methylamino)methanamine oxide
SMILESCN[N+](C)(C)[O-]
InChIInChI=1S/C3H10N2O/c1-4-5(2,3)6/h4H,1-3H3
InChIKeyIDQWTQVYAOKMBH-UHFFFAOYSA-N
MW90.13 g/mol
LogP-0.31
Rot. Bonds1

About N-methyl-N-(methylamino)methanamine oxide

N-methyl-N-(methylamino)methanamine oxide (PubChem CID 163640292) has the molecular formula C3H10N2O and a molecular weight of 90.13 g/mol. Its IUPAC name is N-methyl-N-(methylamino)methanamine oxide.

Molecular Properties

Compound NameN-methyl-N-(methylamino)methanamine oxide
PubChem CID163640292
Molecular FormulaC3H10N2O
Molecular Weight90.13 g/mol
Exact Mass90.08
IUPAC NameN-methyl-N-(methylamino)methanamine oxide
SMILESCN[N+](C)(C)[O-]
InChIInChI=1S/C3H10N2O/c1-4-5(2,3)6/h4H,1-3H3
InChIKeyIDQWTQVYAOKMBH-UHFFFAOYSA-N
XLogP-0.31
TPSA35.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.13
LogP ≤ 5-0.31
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 N-methyl-N-(methylamino)methanamine oxide?
The IUPAC name of N-methyl-N-(methylamino)methanamine oxide (CID 163640292) is N-methyl-N-(methylamino)methanamine oxide.
What is the SMILES notation for N-methyl-N-(methylamino)methanamine oxide?
The canonical SMILES for N-methyl-N-(methylamino)methanamine oxide is CN[N+](C)(C)[O-].
What is the InChIKey of N-methyl-N-(methylamino)methanamine oxide?
The InChIKey is IDQWTQVYAOKMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N2O/c1-4-5(2,3)6/h4H,1-3H3.
What are the key properties of N-methyl-N-(methylamino)methanamine oxide?
N-methyl-N-(methylamino)methanamine oxide has a molecular weight of 90.13 g/mol, XLogP of -0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(methylamino)methanamine oxide is sourced from PubChem (CID 163640292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).