N'-[(Z)-2-(anilinomethylideneamino)-1,2-dicyanoethenyl]-N,N-dimethylmethanimidamide

C14H14N6 — CID 10563697

IUPACN'-[(Z)-2-(anilinomethylideneamino)-1,2-dicyanoethenyl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/C(C#N)=C(C#N)\N=C\Nc1ccccc1
InChIInChI=1S/C14H14N6/c1-20(2)11-19-14(9-16)13(8-15)18-10-17-12-6-4-3-5-7-12/h3-7,10-11H,1-2H3,(H,17,18)/b14-13-,19-11+
InChIKeyXTXNSAXVBHNSAG-UWGWQUNYSA-N
MW266.31 g/mol
LogP1.98
Rot. Bonds5

About N'-[(Z)-2-(anilinomethylideneamino)-1,2-dicyanoethenyl]-N,N-dimethylmethanimidamide

N'-[(Z)-2-(anilinomethylideneamino)-1,2-dicyanoethenyl]-N,N-dimethylmethanimidamide (PubChem CID 10563697) has the molecular formula C14H14N6 and a molecular weight of 266.31 g/mol. Its IUPAC name is N'-[(Z)-2-(anilinomethylideneamino)-1,2-dicyanoethenyl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[(Z)-2-(anilinomethylideneamino)-1,2-dicyanoethenyl]-N,N-dimethylmethanimidamide
PubChem CID10563697
Molecular FormulaC14H14N6
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC NameN'-[(Z)-2-(anilinomethylideneamino)-1,2-dicyanoethenyl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/C(C#N)=C(C#N)\N=C\Nc1ccccc1
InChIInChI=1S/C14H14N6/c1-20(2)11-19-14(9-16)13(8-15)18-10-17-12-6-4-3-5-7-12/h3-7,10-11H,1-2H3,(H,17,18)/b14-13-,19-11+
InChIKeyXTXNSAXVBHNSAG-UWGWQUNYSA-N
XLogP1.98
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

N'-[(Z)-1,2-dicyano-2-(hydrazinylmethylideneamino)ethenyl]-N,N-dimethylmethanimidamide
CID 10703419
(Z)-2-cyano-3-(dimethylamino)-N-phenylprop-2-enamide
CID 22301644
N-(dimethylaminomethylidene)azulene-2-carboxamide
CID 141302363
N-(dimethylaminomethylidene)benzamide;ethane
CID 90754594
methyl (NE)-N-[(dimethylaminomethylideneamino)-phenylmethylidene]carbamate
CID 10752103
N'-[(Z)-2-(benzylideneamino)-1,2-dicyanoethenyl]-N-phenylmethoxymethanimidamide
CID 5325276
2-(anilinomethylidene)-4,4-dimethyl-3-oxopentanenitrile
CID 4069487
N'-[(S)-cyano(phenyl)methyl]-N,N-dimethylmethanimidamide
CID 11240893
methyl (Z)-2-cyano-3-(dimethylaminomethylideneamino)-3-pyrimidin-2-ylprop-2-enoate
CID 95931714
(E)-3-anilino-2-(4-methyl-1,3-thiazol-2-yl)prop-2-enenitrile
CID 8811112
(Z)-3-anilino-2-cyano-3-(dimethylamino)prop-2-enamide
CID 13133245
N'-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-N-phenylmethanimidamide
CID 129200359

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-2-(anilinomethylideneamino)-1,2-dicyanoethenyl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[(Z)-2-(anilinomethylideneamino)-1,2-dicyanoethenyl]-N,N-dimethylmethanimidamide (CID 10563697) is N'-[(Z)-2-(anilinomethylideneamino)-1,2-dicyanoethenyl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[(Z)-2-(anilinomethylideneamino)-1,2-dicyanoethenyl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[(Z)-2-(anilinomethylideneamino)-1,2-dicyanoethenyl]-N,N-dimethylmethanimidamide is CN(C)/C=N/C(C#N)=C(C#N)\N=C\Nc1ccccc1.
What is the InChIKey of N'-[(Z)-2-(anilinomethylideneamino)-1,2-dicyanoethenyl]-N,N-dimethylmethanimidamide?
The InChIKey is XTXNSAXVBHNSAG-UWGWQUNYSA-N. The full InChI is InChI=1S/C14H14N6/c1-20(2)11-19-14(9-16)13(8-15)18-10-17-12-6-4-3-5-7-12/h3-7,10-11H,1-2H3,(H,17,18)/b14-13-,19-11+.
What are the key properties of N'-[(Z)-2-(anilinomethylideneamino)-1,2-dicyanoethenyl]-N,N-dimethylmethanimidamide?
N'-[(Z)-2-(anilinomethylideneamino)-1,2-dicyanoethenyl]-N,N-dimethylmethanimidamide has a molecular weight of 266.31 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-2-(anilinomethylideneamino)-1,2-dicyanoethenyl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 10563697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).