2-amino-N'-ethenyl-3-methylbut-2-enimidamide;ethane;ethene

C11H23N3 — CID 142067318

IUPAC2-amino-N'-ethenyl-3-methylbut-2-enimidamide;ethane;ethene
SMILESC=C.C=C/N=C(\N)C(N)=C(C)C.CC
InChIInChI=1S/C7H13N3.C2H6.C2H4/c1-4-10-7(9)6(8)5(2)3;2*1-2/h4H,1,8H2,2-3H3,(H2,9,10);1-2H3;1-2H2
InChIKeySQPQJYDNCGFJHW-UHFFFAOYSA-N
MW197.33 g/mol
LogP2.57
Rot. Bonds2

About 2-amino-N'-ethenyl-3-methylbut-2-enimidamide;ethane;ethene

2-amino-N'-ethenyl-3-methylbut-2-enimidamide;ethane;ethene (PubChem CID 142067318) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 2-amino-N'-ethenyl-3-methylbut-2-enimidamide;ethane;ethene.

Molecular Properties

Compound Name2-amino-N'-ethenyl-3-methylbut-2-enimidamide;ethane;ethene
PubChem CID142067318
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name2-amino-N'-ethenyl-3-methylbut-2-enimidamide;ethane;ethene
SMILESC=C.C=C/N=C(\N)C(N)=C(C)C.CC
InChIInChI=1S/C7H13N3.C2H6.C2H4/c1-4-10-7(9)6(8)5(2)3;2*1-2/h4H,1,8H2,2-3H3,(H2,9,10);1-2H3;1-2H2
InChIKeySQPQJYDNCGFJHW-UHFFFAOYSA-N
XLogP2.57
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 52.57
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-amino-N'-ethenyl-3-methylbut-2-enimidamide;ethane;ethene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-N'-ethenyl-3-methylbut-2-enimidamide;ethane;ethene?
The IUPAC name of 2-amino-N'-ethenyl-3-methylbut-2-enimidamide;ethane;ethene (CID 142067318) is 2-amino-N'-ethenyl-3-methylbut-2-enimidamide;ethane;ethene.
What is the SMILES notation for 2-amino-N'-ethenyl-3-methylbut-2-enimidamide;ethane;ethene?
The canonical SMILES for 2-amino-N'-ethenyl-3-methylbut-2-enimidamide;ethane;ethene is C=C.C=C/N=C(\N)C(N)=C(C)C.CC.
What is the InChIKey of 2-amino-N'-ethenyl-3-methylbut-2-enimidamide;ethane;ethene?
The InChIKey is SQPQJYDNCGFJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3.C2H6.C2H4/c1-4-10-7(9)6(8)5(2)3;2*1-2/h4H,1,8H2,2-3H3,(H2,9,10);1-2H3;1-2H2.
What are the key properties of 2-amino-N'-ethenyl-3-methylbut-2-enimidamide;ethane;ethene?
2-amino-N'-ethenyl-3-methylbut-2-enimidamide;ethane;ethene has a molecular weight of 197.33 g/mol, XLogP of 2.57, 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;ethane;ethene is sourced from PubChem (CID 142067318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).