N'-ethoxyethanimidamide

C4H10N2O — CID 14897265

IUPACN'-ethoxyethanimidamide
SMILESCCO/N=C(/C)N
InChIInChI=1S/C4H10N2O/c1-3-7-6-4(2)5/h3H2,1-2H3,(H2,5,6)
InChIKeyWHELQCFYMJNODI-UHFFFAOYSA-N
MW102.14 g/mol
LogP0.31
Rot. Bonds2

About N'-ethoxyethanimidamide

N'-ethoxyethanimidamide (PubChem CID 14897265) has the molecular formula C4H10N2O and a molecular weight of 102.14 g/mol. Its IUPAC name is N'-ethoxyethanimidamide.

Molecular Properties

Compound NameN'-ethoxyethanimidamide
PubChem CID14897265
Molecular FormulaC4H10N2O
Molecular Weight102.14 g/mol
Exact Mass102.08
IUPAC NameN'-ethoxyethanimidamide
SMILESCCO/N=C(/C)N
InChIInChI=1S/C4H10N2O/c1-3-7-6-4(2)5/h3H2,1-2H3,(H2,5,6)
InChIKeyWHELQCFYMJNODI-UHFFFAOYSA-N
XLogP0.31
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.14
LogP ≤ 50.31
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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Frequently Asked Questions

What is the IUPAC name of N'-ethoxyethanimidamide?
The IUPAC name of N'-ethoxyethanimidamide (CID 14897265) is N'-ethoxyethanimidamide.
What is the SMILES notation for N'-ethoxyethanimidamide?
The canonical SMILES for N'-ethoxyethanimidamide is CCO/N=C(/C)N.
What is the InChIKey of N'-ethoxyethanimidamide?
The InChIKey is WHELQCFYMJNODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O/c1-3-7-6-4(2)5/h3H2,1-2H3,(H2,5,6).
What are the key properties of N'-ethoxyethanimidamide?
N'-ethoxyethanimidamide has a molecular weight of 102.14 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethoxyethanimidamide is sourced from PubChem (CID 14897265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).