(E)-2-amino-N'-methylbut-2-enimidamide

C5H11N3 — CID 139378535

IUPAC(E)-2-amino-N'-methylbut-2-enimidamide
SMILESC/C=C(N)\C(N)=N\C
InChIInChI=1S/C5H11N3/c1-3-4(6)5(7)8-2/h3H,6H2,1-2H3,(H2,7,8)/b4-3+
InChIKeyJVILHRYQCGOUCW-ONEGZZNKSA-N
MW113.16 g/mol
LogP-0.16
Rot. Bonds1

About (E)-2-amino-N'-methylbut-2-enimidamide

(E)-2-amino-N'-methylbut-2-enimidamide (PubChem CID 139378535) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is (E)-2-amino-N'-methylbut-2-enimidamide.

Molecular Properties

Compound Name(E)-2-amino-N'-methylbut-2-enimidamide
PubChem CID139378535
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC Name(E)-2-amino-N'-methylbut-2-enimidamide
SMILESC/C=C(N)\C(N)=N\C
InChIInChI=1S/C5H11N3/c1-3-4(6)5(7)8-2/h3H,6H2,1-2H3,(H2,7,8)/b4-3+
InChIKeyJVILHRYQCGOUCW-ONEGZZNKSA-N
XLogP-0.16
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 5-0.16
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 (E)-2-amino-N'-methylbut-2-enimidamide?
The IUPAC name of (E)-2-amino-N'-methylbut-2-enimidamide (CID 139378535) is (E)-2-amino-N'-methylbut-2-enimidamide.
What is the SMILES notation for (E)-2-amino-N'-methylbut-2-enimidamide?
The canonical SMILES for (E)-2-amino-N'-methylbut-2-enimidamide is C/C=C(N)\C(N)=N\C.
What is the InChIKey of (E)-2-amino-N'-methylbut-2-enimidamide?
The InChIKey is JVILHRYQCGOUCW-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H11N3/c1-3-4(6)5(7)8-2/h3H,6H2,1-2H3,(H2,7,8)/b4-3+.
What are the key properties of (E)-2-amino-N'-methylbut-2-enimidamide?
(E)-2-amino-N'-methylbut-2-enimidamide has a molecular weight of 113.16 g/mol, XLogP of -0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-amino-N'-methylbut-2-enimidamide is sourced from PubChem (CID 139378535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).