N-(methylamino)methanamine oxide

C2H8N2O — CID 141057523

IUPACN-(methylamino)methanamine oxide
SMILESCN[NH+](C)[O-]
InChIInChI=1S/C2H8N2O/c1-3-4(2)5/h3-4H,1-2H3
InChIKeyNLGBZFBLMUDPJS-UHFFFAOYSA-N
MW76.10 g/mol
LogP-1.87
Rot. Bonds1

About N-(methylamino)methanamine oxide

N-(methylamino)methanamine oxide (PubChem CID 141057523) has the molecular formula C2H8N2O and a molecular weight of 76.10 g/mol. Its IUPAC name is N-(methylamino)methanamine oxide.

Molecular Properties

Compound NameN-(methylamino)methanamine oxide
PubChem CID141057523
Molecular FormulaC2H8N2O
Molecular Weight76.10 g/mol
Exact Mass76.06
IUPAC NameN-(methylamino)methanamine oxide
SMILESCN[NH+](C)[O-]
InChIInChI=1S/C2H8N2O/c1-3-4(2)5/h3-4H,1-2H3
InChIKeyNLGBZFBLMUDPJS-UHFFFAOYSA-N
XLogP-1.87
TPSA39.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50076.10
LogP ≤ 5-1.87
H-Bond Donors ≤ 52
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 N-(methylamino)methanamine oxide?
The IUPAC name of N-(methylamino)methanamine oxide (CID 141057523) is N-(methylamino)methanamine oxide.
What is the SMILES notation for N-(methylamino)methanamine oxide?
The canonical SMILES for N-(methylamino)methanamine oxide is CN[NH+](C)[O-].
What is the InChIKey of N-(methylamino)methanamine oxide?
The InChIKey is NLGBZFBLMUDPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8N2O/c1-3-4(2)5/h3-4H,1-2H3.
What are the key properties of N-(methylamino)methanamine oxide?
N-(methylamino)methanamine oxide has a molecular weight of 76.10 g/mol, XLogP of -1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylamino)methanamine oxide is sourced from PubChem (CID 141057523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).