4-amino-3-(3-ethenylbenzenecarboximidoyl)-N'-(methylamino)benzenecarboximidamide

C17H19N5 — CID 142208898

IUPAC4-amino-3-(3-ethenylbenzenecarboximidoyl)-N'-(methylamino)benzenecarboximidamide
SMILES[H]/N=C(\c1cccc(C=C)c1)c1cc(/C(N)=N/NC)ccc1N
InChIInChI=1S/C17H19N5/c1-3-11-5-4-6-12(9-11)16(19)14-10-13(7-8-15(14)18)17(20)22-21-2/h3-10,19,21H,1,18H2,2H3,(H2,20,22)/b19-16+
InChIKeyBMRLFBXQTBOQBZ-KNTRCKAVSA-N
MW293.37 g/mol
LogP2.17
Rot. Bonds5

About 4-amino-3-(3-ethenylbenzenecarboximidoyl)-N'-(methylamino)benzenecarboximidamide

4-amino-3-(3-ethenylbenzenecarboximidoyl)-N'-(methylamino)benzenecarboximidamide (PubChem CID 142208898) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-amino-3-(3-ethenylbenzenecarboximidoyl)-N'-(methylamino)benzenecarboximidamide.

Molecular Properties

Compound Name4-amino-3-(3-ethenylbenzenecarboximidoyl)-N'-(methylamino)benzenecarboximidamide
PubChem CID142208898
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC Name4-amino-3-(3-ethenylbenzenecarboximidoyl)-N'-(methylamino)benzenecarboximidamide
SMILES[H]/N=C(\c1cccc(C=C)c1)c1cc(/C(N)=N/NC)ccc1N
InChIInChI=1S/C17H19N5/c1-3-11-5-4-6-12(9-11)16(19)14-10-13(7-8-15(14)18)17(20)22-21-2/h3-10,19,21H,1,18H2,2H3,(H2,20,22)/b19-16+
InChIKeyBMRLFBXQTBOQBZ-KNTRCKAVSA-N
XLogP2.17
TPSA100.28 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-amino-N'-methanimidoyl-3-[3-(methylamino)benzenecarboximidoyl]benzenecarboximidamide
CID 142958227
2-[3-[2-amino-5-(N'-methanimidoylcarbamimidoyl)benzenecarboximidoyl]anilino]-2-oxoacetic acid
CID 142958219
2-(3-methylbenzenecarboximidoyl)benzene-1,4-diamine
CID 155482417
N'-(methylamino)benzenecarboximidamide;hydroiodide
CID 12566592
2-(3-fluorobenzenecarboximidoyl)-4-(methylaminomethyl)aniline
CID 142178906
[2-amino-5-(2-amino-5-carbamoylbenzenecarboximidoyl)phenyl] acetate
CID 123953939
2-(benzenecarboximidoyl)benzene-1,4-diamine
CID 142270797
4-amino-3-(6-methoxynaphthalene-2-carboximidoyl)benzamide
CID 142112568
N'-(methylamino)naphthalene-2-carboximidamide
CID 143768408
N-(2,3-dihydroxypropyl)formamide;2-(3-fluorobenzenecarboximidoyl)-4-methylaniline
CID 142179115
3-(benzenecarboximidoyl)-5-ethenylpyridin-2-amine;1-cyclopentyl-N-methylmethanamine
CID 142836541
6-[2-amino-5-[(E)-1-(methylamino)prop-1-en-2-yl]benzenecarboximidoyl]-N-methylpyrimidin-4-amine
CID 144697128

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(3-ethenylbenzenecarboximidoyl)-N'-(methylamino)benzenecarboximidamide?
The IUPAC name of 4-amino-3-(3-ethenylbenzenecarboximidoyl)-N'-(methylamino)benzenecarboximidamide (CID 142208898) is 4-amino-3-(3-ethenylbenzenecarboximidoyl)-N'-(methylamino)benzenecarboximidamide.
What is the SMILES notation for 4-amino-3-(3-ethenylbenzenecarboximidoyl)-N'-(methylamino)benzenecarboximidamide?
The canonical SMILES for 4-amino-3-(3-ethenylbenzenecarboximidoyl)-N'-(methylamino)benzenecarboximidamide is [H]/N=C(\c1cccc(C=C)c1)c1cc(/C(N)=N/NC)ccc1N.
What is the InChIKey of 4-amino-3-(3-ethenylbenzenecarboximidoyl)-N'-(methylamino)benzenecarboximidamide?
The InChIKey is BMRLFBXQTBOQBZ-KNTRCKAVSA-N. The full InChI is InChI=1S/C17H19N5/c1-3-11-5-4-6-12(9-11)16(19)14-10-13(7-8-15(14)18)17(20)22-21-2/h3-10,19,21H,1,18H2,2H3,(H2,20,22)/b19-16+.
What are the key properties of 4-amino-3-(3-ethenylbenzenecarboximidoyl)-N'-(methylamino)benzenecarboximidamide?
4-amino-3-(3-ethenylbenzenecarboximidoyl)-N'-(methylamino)benzenecarboximidamide has a molecular weight of 293.37 g/mol, XLogP of 2.17, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(3-ethenylbenzenecarboximidoyl)-N'-(methylamino)benzenecarboximidamide is sourced from PubChem (CID 142208898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).