N'-[(Z)-2-amino-1,2-dicyanoethenyl]-N-(4-aminophenyl)methanimidamide

C11H10N6 — CID 5468437

IUPACN'-[(Z)-2-amino-1,2-dicyanoethenyl]-N-(4-aminophenyl)methanimidamide
SMILESN#C/C(N)=C(C#N)/N=C/Nc1ccc(N)cc1
InChIInChI=1S/C11H10N6/c12-5-10(15)11(6-13)17-7-16-9-3-1-8(14)2-4-9/h1-4,7H,14-15H2,(H,16,17)/b11-10-
InChIKeyKPKLCXPLFDJFTK-KHPPLWFESA-N
MW226.24 g/mol
LogP0.93
Rot. Bonds3

About N'-[(Z)-2-amino-1,2-dicyanoethenyl]-N-(4-aminophenyl)methanimidamide

N'-[(Z)-2-amino-1,2-dicyanoethenyl]-N-(4-aminophenyl)methanimidamide (PubChem CID 5468437) has the molecular formula C11H10N6 and a molecular weight of 226.24 g/mol. Its IUPAC name is N'-[(Z)-2-amino-1,2-dicyanoethenyl]-N-(4-aminophenyl)methanimidamide.

Molecular Properties

Compound NameN'-[(Z)-2-amino-1,2-dicyanoethenyl]-N-(4-aminophenyl)methanimidamide
PubChem CID5468437
Molecular FormulaC11H10N6
Molecular Weight226.24 g/mol
Exact Mass226.10
IUPAC NameN'-[(Z)-2-amino-1,2-dicyanoethenyl]-N-(4-aminophenyl)methanimidamide
SMILESN#C/C(N)=C(C#N)/N=C/Nc1ccc(N)cc1
InChIInChI=1S/C11H10N6/c12-5-10(15)11(6-13)17-7-16-9-3-1-8(14)2-4-9/h1-4,7H,14-15H2,(H,16,17)/b11-10-
InChIKeyKPKLCXPLFDJFTK-KHPPLWFESA-N
XLogP0.93
TPSA124.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', '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 N'-[(Z)-2-amino-1,2-dicyanoethenyl]-N-(4-aminophenyl)methanimidamide?
The IUPAC name of N'-[(Z)-2-amino-1,2-dicyanoethenyl]-N-(4-aminophenyl)methanimidamide (CID 5468437) is N'-[(Z)-2-amino-1,2-dicyanoethenyl]-N-(4-aminophenyl)methanimidamide.
What is the SMILES notation for N'-[(Z)-2-amino-1,2-dicyanoethenyl]-N-(4-aminophenyl)methanimidamide?
The canonical SMILES for N'-[(Z)-2-amino-1,2-dicyanoethenyl]-N-(4-aminophenyl)methanimidamide is N#C/C(N)=C(C#N)/N=C/Nc1ccc(N)cc1.
What is the InChIKey of N'-[(Z)-2-amino-1,2-dicyanoethenyl]-N-(4-aminophenyl)methanimidamide?
The InChIKey is KPKLCXPLFDJFTK-KHPPLWFESA-N. The full InChI is InChI=1S/C11H10N6/c12-5-10(15)11(6-13)17-7-16-9-3-1-8(14)2-4-9/h1-4,7H,14-15H2,(H,16,17)/b11-10-.
What are the key properties of N'-[(Z)-2-amino-1,2-dicyanoethenyl]-N-(4-aminophenyl)methanimidamide?
N'-[(Z)-2-amino-1,2-dicyanoethenyl]-N-(4-aminophenyl)methanimidamide has a molecular weight of 226.24 g/mol, XLogP of 0.93, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-2-amino-1,2-dicyanoethenyl]-N-(4-aminophenyl)methanimidamide is sourced from PubChem (CID 5468437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).