2-amino-2-ethyliminoacetamide

C4H9N3O — CID 87905888

IUPAC2-amino-2-ethyliminoacetamide
SMILESCC/N=C(\N)C(N)=O
InChIInChI=1S/C4H9N3O/c1-2-7-3(5)4(6)8/h2H2,1H3,(H2,5,7)(H2,6,8)
InChIKeyXKWHMUMWGIQGGB-UHFFFAOYSA-N
MW115.14 g/mol
LogP-1.15
Rot. Bonds1

About 2-amino-2-ethyliminoacetamide

2-amino-2-ethyliminoacetamide (PubChem CID 87905888) has the molecular formula C4H9N3O and a molecular weight of 115.14 g/mol. Its IUPAC name is 2-amino-2-ethyliminoacetamide.

Molecular Properties

Compound Name2-amino-2-ethyliminoacetamide
PubChem CID87905888
Molecular FormulaC4H9N3O
Molecular Weight115.14 g/mol
Exact Mass115.07
IUPAC Name2-amino-2-ethyliminoacetamide
SMILESCC/N=C(\N)C(N)=O
InChIInChI=1S/C4H9N3O/c1-2-7-3(5)4(6)8/h2H2,1H3,(H2,5,7)(H2,6,8)
InChIKeyXKWHMUMWGIQGGB-UHFFFAOYSA-N
XLogP-1.15
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.14
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyliminoacetamide?
The IUPAC name of 2-amino-2-ethyliminoacetamide (CID 87905888) is 2-amino-2-ethyliminoacetamide.
What is the SMILES notation for 2-amino-2-ethyliminoacetamide?
The canonical SMILES for 2-amino-2-ethyliminoacetamide is CC/N=C(\N)C(N)=O.
What is the InChIKey of 2-amino-2-ethyliminoacetamide?
The InChIKey is XKWHMUMWGIQGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3O/c1-2-7-3(5)4(6)8/h2H2,1H3,(H2,5,7)(H2,6,8).
What are the key properties of 2-amino-2-ethyliminoacetamide?
2-amino-2-ethyliminoacetamide has a molecular weight of 115.14 g/mol, XLogP of -1.15, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyliminoacetamide is sourced from PubChem (CID 87905888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).