(1E)-N-(dimethylazaniumyl)ethanimidate

C4H10N2O — CID 20676007

IUPAC(1E)-N-(dimethylazaniumyl)ethanimidate
SMILESC/C([O-])=N\[NH+](C)C
InChIInChI=1S/C4H10N2O/c1-4(7)5-6(2)3/h1-3H3,(H,5,7)
InChIKeySLIKWWJXVUHCPJ-UHFFFAOYSA-N
MW102.14 g/mol
LogP-2.18
Rot. Bonds1

About (1E)-N-(dimethylazaniumyl)ethanimidate

(1E)-N-(dimethylazaniumyl)ethanimidate (PubChem CID 20676007) has the molecular formula C4H10N2O and a molecular weight of 102.14 g/mol. Its IUPAC name is (1E)-N-(dimethylazaniumyl)ethanimidate.

Molecular Properties

Compound Name(1E)-N-(dimethylazaniumyl)ethanimidate
PubChem CID20676007
Molecular FormulaC4H10N2O
Molecular Weight102.14 g/mol
Exact Mass102.08
IUPAC Name(1E)-N-(dimethylazaniumyl)ethanimidate
SMILESC/C([O-])=N\[NH+](C)C
InChIInChI=1S/C4H10N2O/c1-4(7)5-6(2)3/h1-3H3,(H,5,7)
InChIKeySLIKWWJXVUHCPJ-UHFFFAOYSA-N
XLogP-2.18
TPSA39.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.14
LogP ≤ 5-2.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

potassium (1Z)-N-(dimethylazaniumyl)-2,2-dimethylpropanimidate
CID 140577616
sodium N-hydroxyethanimidate
CID 102059901
sodium N-oxidopropan-2-imine
CID 23680170
(1E)-N-tritiophosphanidylethanimidate
CID 59611333
dimethyl(propan-2-yl)azanium acetate
CID 22134361
(1Z)-N-nitroethanimidate
CID 22649980
[(E)-N-[(E)-1-(dimethylazaniumyl)ethylideneamino]-C-methylcarbonimidoyl]-dimethylazanium
CID 23272261
tricalcium diacetate
CID 19804487
(indium(3+)) diacetate
CID 173450278
terbium(3+) acetate
CID 22482914
CID 170997571
CID 170997571
zirconium acetate
CID 18596

Frequently Asked Questions

What is the IUPAC name of (1E)-N-(dimethylazaniumyl)ethanimidate?
The IUPAC name of (1E)-N-(dimethylazaniumyl)ethanimidate (CID 20676007) is (1E)-N-(dimethylazaniumyl)ethanimidate.
What is the SMILES notation for (1E)-N-(dimethylazaniumyl)ethanimidate?
The canonical SMILES for (1E)-N-(dimethylazaniumyl)ethanimidate is C/C([O-])=N\[NH+](C)C.
What is the InChIKey of (1E)-N-(dimethylazaniumyl)ethanimidate?
The InChIKey is SLIKWWJXVUHCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O/c1-4(7)5-6(2)3/h1-3H3,(H,5,7).
What are the key properties of (1E)-N-(dimethylazaniumyl)ethanimidate?
(1E)-N-(dimethylazaniumyl)ethanimidate has a molecular weight of 102.14 g/mol, XLogP of -2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N-(dimethylazaniumyl)ethanimidate is sourced from PubChem (CID 20676007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).