2-amino-N'-ethenyl-3-methylbut-2-enimidamide

C7H13N3 — CID 142067319

IUPAC2-amino-N'-ethenyl-3-methylbut-2-enimidamide
SMILESC=C/N=C(\N)C(N)=C(C)C
InChIInChI=1S/C7H13N3/c1-4-10-7(9)6(8)5(2)3/h4H,1,8H2,2-3H3,(H2,9,10)
InChIKeyZBUCHRMQOPYOJF-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.74
Rot. Bonds2

About 2-amino-N'-ethenyl-3-methylbut-2-enimidamide

2-amino-N'-ethenyl-3-methylbut-2-enimidamide (PubChem CID 142067319) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-amino-N'-ethenyl-3-methylbut-2-enimidamide.

Molecular Properties

Compound Name2-amino-N'-ethenyl-3-methylbut-2-enimidamide
PubChem CID142067319
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name2-amino-N'-ethenyl-3-methylbut-2-enimidamide
SMILESC=C/N=C(\N)C(N)=C(C)C
InChIInChI=1S/C7H13N3/c1-4-10-7(9)6(8)5(2)3/h4H,1,8H2,2-3H3,(H2,9,10)
InChIKeyZBUCHRMQOPYOJF-UHFFFAOYSA-N
XLogP0.74
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.74
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-N'-ethenyl-3-methylbut-2-enimidamide?
The IUPAC name of 2-amino-N'-ethenyl-3-methylbut-2-enimidamide (CID 142067319) is 2-amino-N'-ethenyl-3-methylbut-2-enimidamide.
What is the SMILES notation for 2-amino-N'-ethenyl-3-methylbut-2-enimidamide?
The canonical SMILES for 2-amino-N'-ethenyl-3-methylbut-2-enimidamide is C=C/N=C(\N)C(N)=C(C)C.
What is the InChIKey of 2-amino-N'-ethenyl-3-methylbut-2-enimidamide?
The InChIKey is ZBUCHRMQOPYOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-4-10-7(9)6(8)5(2)3/h4H,1,8H2,2-3H3,(H2,9,10).
What are the key properties of 2-amino-N'-ethenyl-3-methylbut-2-enimidamide?
2-amino-N'-ethenyl-3-methylbut-2-enimidamide has a molecular weight of 139.20 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N'-ethenyl-3-methylbut-2-enimidamide is sourced from PubChem (CID 142067319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).