N'-methoxyethane-1,2-diimine

C3H6N2O — CID 174095162

IUPACN'-methoxyethane-1,2-diimine
SMILES[H]/N=C/C=N\OC
InChIInChI=1S/C3H6N2O/c1-6-5-3-2-4/h2-4H,1H3/b4-2+,5-3-
InChIKeyGDDLXWAGHFBNRR-HZDAAVBUSA-N
MW86.09 g/mol
LogP0.27
Rot. Bonds2

About N'-methoxyethane-1,2-diimine

N'-methoxyethane-1,2-diimine (PubChem CID 174095162) has the molecular formula C3H6N2O and a molecular weight of 86.09 g/mol. Its IUPAC name is N'-methoxyethane-1,2-diimine.

Molecular Properties

Compound NameN'-methoxyethane-1,2-diimine
PubChem CID174095162
Molecular FormulaC3H6N2O
Molecular Weight86.09 g/mol
Exact Mass86.05
IUPAC NameN'-methoxyethane-1,2-diimine
SMILES[H]/N=C/C=N\OC
InChIInChI=1S/C3H6N2O/c1-6-5-3-2-4/h2-4H,1H3/b4-2+,5-3-
InChIKeyGDDLXWAGHFBNRR-HZDAAVBUSA-N
XLogP0.27
TPSA45.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.09
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N'-methoxyethane-1,2-diimine?
The IUPAC name of N'-methoxyethane-1,2-diimine (CID 174095162) is N'-methoxyethane-1,2-diimine.
What is the SMILES notation for N'-methoxyethane-1,2-diimine?
The canonical SMILES for N'-methoxyethane-1,2-diimine is [H]/N=C/C=N\OC.
What is the InChIKey of N'-methoxyethane-1,2-diimine?
The InChIKey is GDDLXWAGHFBNRR-HZDAAVBUSA-N. The full InChI is InChI=1S/C3H6N2O/c1-6-5-3-2-4/h2-4H,1H3/b4-2+,5-3-.
What are the key properties of N'-methoxyethane-1,2-diimine?
N'-methoxyethane-1,2-diimine has a molecular weight of 86.09 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methoxyethane-1,2-diimine is sourced from PubChem (CID 174095162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).