3-amino-N'-ethanimidoylbut-2-enimidamide

C6H12N4 — CID 176543913

IUPAC3-amino-N'-ethanimidoylbut-2-enimidamide
SMILES[H]/N=C(C)/N=C(\N)C=C(C)N
InChIInChI=1S/C6H12N4/c1-4(7)3-6(9)10-5(2)8/h3H,7H2,1-2H3,(H3,8,9,10)
InChIKeyLHWLGAKKTRRIMZ-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.20
Rot. Bonds1

About 3-amino-N'-ethanimidoylbut-2-enimidamide

3-amino-N'-ethanimidoylbut-2-enimidamide (PubChem CID 176543913) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is 3-amino-N'-ethanimidoylbut-2-enimidamide.

Molecular Properties

Compound Name3-amino-N'-ethanimidoylbut-2-enimidamide
PubChem CID176543913
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name3-amino-N'-ethanimidoylbut-2-enimidamide
SMILES[H]/N=C(C)/N=C(\N)C=C(C)N
InChIInChI=1S/C6H12N4/c1-4(7)3-6(9)10-5(2)8/h3H,7H2,1-2H3,(H3,8,9,10)
InChIKeyLHWLGAKKTRRIMZ-UHFFFAOYSA-N
XLogP0.20
TPSA88.25 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.20
H-Bond Donors ≤ 53
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 3-amino-N'-ethanimidoylbut-2-enimidamide?
The IUPAC name of 3-amino-N'-ethanimidoylbut-2-enimidamide (CID 176543913) is 3-amino-N'-ethanimidoylbut-2-enimidamide.
What is the SMILES notation for 3-amino-N'-ethanimidoylbut-2-enimidamide?
The canonical SMILES for 3-amino-N'-ethanimidoylbut-2-enimidamide is [H]/N=C(C)/N=C(\N)C=C(C)N.
What is the InChIKey of 3-amino-N'-ethanimidoylbut-2-enimidamide?
The InChIKey is LHWLGAKKTRRIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-4(7)3-6(9)10-5(2)8/h3H,7H2,1-2H3,(H3,8,9,10).
What are the key properties of 3-amino-N'-ethanimidoylbut-2-enimidamide?
3-amino-N'-ethanimidoylbut-2-enimidamide has a molecular weight of 140.19 g/mol, XLogP of 0.20, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N'-ethanimidoylbut-2-enimidamide is sourced from PubChem (CID 176543913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).