N-amino-N'-ethenylethanimidamide

C4H9N3 — CID 123956109

IUPACN-amino-N'-ethenylethanimidamide
SMILESC=C/N=C(\C)NN
InChIInChI=1S/C4H9N3/c1-3-6-4(2)7-5/h3H,1,5H2,2H3,(H,6,7)
InChIKeyXZYWHGBBBRRTRS-UHFFFAOYSA-N
MW99.14 g/mol
LogP0.01
Rot. Bonds1

About N-amino-N'-ethenylethanimidamide

N-amino-N'-ethenylethanimidamide (PubChem CID 123956109) has the molecular formula C4H9N3 and a molecular weight of 99.14 g/mol. Its IUPAC name is N-amino-N'-ethenylethanimidamide.

Molecular Properties

Compound NameN-amino-N'-ethenylethanimidamide
PubChem CID123956109
Molecular FormulaC4H9N3
Molecular Weight99.14 g/mol
Exact Mass99.08
IUPAC NameN-amino-N'-ethenylethanimidamide
SMILESC=C/N=C(\C)NN
InChIInChI=1S/C4H9N3/c1-3-6-4(2)7-5/h3H,1,5H2,2H3,(H,6,7)
InChIKeyXZYWHGBBBRRTRS-UHFFFAOYSA-N
XLogP0.01
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.14
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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-amino-N'-ethenylethanimidamide?
The IUPAC name of N-amino-N'-ethenylethanimidamide (CID 123956109) is N-amino-N'-ethenylethanimidamide.
What is the SMILES notation for N-amino-N'-ethenylethanimidamide?
The canonical SMILES for N-amino-N'-ethenylethanimidamide is C=C/N=C(\C)NN.
What is the InChIKey of N-amino-N'-ethenylethanimidamide?
The InChIKey is XZYWHGBBBRRTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3/c1-3-6-4(2)7-5/h3H,1,5H2,2H3,(H,6,7).
What are the key properties of N-amino-N'-ethenylethanimidamide?
N-amino-N'-ethenylethanimidamide has a molecular weight of 99.14 g/mol, XLogP of 0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-ethenylethanimidamide is sourced from PubChem (CID 123956109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).