5-amino-N'-ethenyl-2-methyl-N-(3-methylphenyl)benzenecarboximidamide

C17H19N3 — CID 142164673

IUPAC5-amino-N'-ethenyl-2-methyl-N-(3-methylphenyl)benzenecarboximidamide
SMILESC=C/N=C(/Nc1cccc(C)c1)c1cc(N)ccc1C
InChIInChI=1S/C17H19N3/c1-4-19-17(16-11-14(18)9-8-13(16)3)20-15-7-5-6-12(2)10-15/h4-11H,1,18H2,2-3H3,(H,19,20)
InChIKeyGMYSFXKBERRKDS-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.89
Rot. Bonds3

About 5-amino-N'-ethenyl-2-methyl-N-(3-methylphenyl)benzenecarboximidamide

5-amino-N'-ethenyl-2-methyl-N-(3-methylphenyl)benzenecarboximidamide (PubChem CID 142164673) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-amino-N'-ethenyl-2-methyl-N-(3-methylphenyl)benzenecarboximidamide.

Molecular Properties

Compound Name5-amino-N'-ethenyl-2-methyl-N-(3-methylphenyl)benzenecarboximidamide
PubChem CID142164673
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name5-amino-N'-ethenyl-2-methyl-N-(3-methylphenyl)benzenecarboximidamide
SMILESC=C/N=C(/Nc1cccc(C)c1)c1cc(N)ccc1C
InChIInChI=1S/C17H19N3/c1-4-19-17(16-11-14(18)9-8-13(16)3)20-15-7-5-6-12(2)10-15/h4-11H,1,18H2,2-3H3,(H,19,20)
InChIKeyGMYSFXKBERRKDS-UHFFFAOYSA-N
XLogP3.89
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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 5-amino-N'-ethenyl-2-methyl-N-(3-methylphenyl)benzenecarboximidamide?
The IUPAC name of 5-amino-N'-ethenyl-2-methyl-N-(3-methylphenyl)benzenecarboximidamide (CID 142164673) is 5-amino-N'-ethenyl-2-methyl-N-(3-methylphenyl)benzenecarboximidamide.
What is the SMILES notation for 5-amino-N'-ethenyl-2-methyl-N-(3-methylphenyl)benzenecarboximidamide?
The canonical SMILES for 5-amino-N'-ethenyl-2-methyl-N-(3-methylphenyl)benzenecarboximidamide is C=C/N=C(/Nc1cccc(C)c1)c1cc(N)ccc1C.
What is the InChIKey of 5-amino-N'-ethenyl-2-methyl-N-(3-methylphenyl)benzenecarboximidamide?
The InChIKey is GMYSFXKBERRKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-4-19-17(16-11-14(18)9-8-13(16)3)20-15-7-5-6-12(2)10-15/h4-11H,1,18H2,2-3H3,(H,19,20).
What are the key properties of 5-amino-N'-ethenyl-2-methyl-N-(3-methylphenyl)benzenecarboximidamide?
5-amino-N'-ethenyl-2-methyl-N-(3-methylphenyl)benzenecarboximidamide has a molecular weight of 265.36 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N'-ethenyl-2-methyl-N-(3-methylphenyl)benzenecarboximidamide is sourced from PubChem (CID 142164673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).