[[methoxy(oxido)azaniumyl]-(methylideneamino)amino]methane

C3H9N3O2 — CID 163823086

IUPAC[[methoxy(oxido)azaniumyl]-(methylideneamino)amino]methane
SMILESC=NN(C)[NH+]([O-])OC
InChIInChI=1S/C3H9N3O2/c1-4-5(2)6(7)8-3/h6H,1H2,2-3H3
InChIKeyNXBZSJNUTIERRL-UHFFFAOYSA-N
MW119.12 g/mol
LogP-1.61
Rot. Bonds3

About [[methoxy(oxido)azaniumyl]-(methylideneamino)amino]methane

[[methoxy(oxido)azaniumyl]-(methylideneamino)amino]methane (PubChem CID 163823086) has the molecular formula C3H9N3O2 and a molecular weight of 119.12 g/mol. Its IUPAC name is [[methoxy(oxido)azaniumyl]-(methylideneamino)amino]methane.

Molecular Properties

Compound Name[[methoxy(oxido)azaniumyl]-(methylideneamino)amino]methane
PubChem CID163823086
Molecular FormulaC3H9N3O2
Molecular Weight119.12 g/mol
Exact Mass119.07
IUPAC Name[[methoxy(oxido)azaniumyl]-(methylideneamino)amino]methane
SMILESC=NN(C)[NH+]([O-])OC
InChIInChI=1S/C3H9N3O2/c1-4-5(2)6(7)8-3/h6H,1H2,2-3H3
InChIKeyNXBZSJNUTIERRL-UHFFFAOYSA-N
XLogP-1.61
TPSA52.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.12
LogP ≤ 5-1.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [[methoxy(oxido)azaniumyl]-(methylideneamino)amino]methane?
The IUPAC name of [[methoxy(oxido)azaniumyl]-(methylideneamino)amino]methane (CID 163823086) is [[methoxy(oxido)azaniumyl]-(methylideneamino)amino]methane.
What is the SMILES notation for [[methoxy(oxido)azaniumyl]-(methylideneamino)amino]methane?
The canonical SMILES for [[methoxy(oxido)azaniumyl]-(methylideneamino)amino]methane is C=NN(C)[NH+]([O-])OC.
What is the InChIKey of [[methoxy(oxido)azaniumyl]-(methylideneamino)amino]methane?
The InChIKey is NXBZSJNUTIERRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N3O2/c1-4-5(2)6(7)8-3/h6H,1H2,2-3H3.
What are the key properties of [[methoxy(oxido)azaniumyl]-(methylideneamino)amino]methane?
[[methoxy(oxido)azaniumyl]-(methylideneamino)amino]methane has a molecular weight of 119.12 g/mol, XLogP of -1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[methoxy(oxido)azaniumyl]-(methylideneamino)amino]methane is sourced from PubChem (CID 163823086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).