2-cyano-8-(iminomethylidene)-N,N'-dimethylnona-2,4,6-trienediimidoyl dicyanide

C15H12N6 — CID 72512163

IUPAC2-cyano-8-(iminomethylidene)-N,N'-dimethylnona-2,4,6-trienediimidoyl dicyanide
SMILESC/N=C(\C#N)C(=C=N)C=CC=CC=C(C#N)/C(C#N)=N/C
InChIInChI=1S/C15H12N6/c1-20-14(10-18)12(8-16)6-4-3-5-7-13(9-17)15(11-19)21-2/h3-7,16H,1-2H3/b5-3?,6-4?,13-7?,20-14+,21-15+
InChIKeyUGOGGAWNCSGGCD-YUAGXCPGSA-N
MW276.30 g/mol
LogP1.91
Rot. Bonds5

About 2-cyano-8-(iminomethylidene)-N,N'-dimethylnona-2,4,6-trienediimidoyl dicyanide

2-cyano-8-(iminomethylidene)-N,N'-dimethylnona-2,4,6-trienediimidoyl dicyanide (PubChem CID 72512163) has the molecular formula C15H12N6 and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-cyano-8-(iminomethylidene)-N,N'-dimethylnona-2,4,6-trienediimidoyl dicyanide.

Molecular Properties

Compound Name2-cyano-8-(iminomethylidene)-N,N'-dimethylnona-2,4,6-trienediimidoyl dicyanide
PubChem CID72512163
Molecular FormulaC15H12N6
Molecular Weight276.30 g/mol
Exact Mass276.11
IUPAC Name2-cyano-8-(iminomethylidene)-N,N'-dimethylnona-2,4,6-trienediimidoyl dicyanide
SMILESC/N=C(\C#N)C(=C=N)C=CC=CC=C(C#N)/C(C#N)=N/C
InChIInChI=1S/C15H12N6/c1-20-14(10-18)12(8-16)6-4-3-5-7-13(9-17)15(11-19)21-2/h3-7,16H,1-2H3/b5-3?,6-4?,13-7?,20-14+,21-15+
InChIKeyUGOGGAWNCSGGCD-YUAGXCPGSA-N
XLogP1.91
TPSA119.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

9-(iminomethylidene)-1,11-diisocyano-2,10-diphenylundeca-1,3,5,7,10-pentaene-1,3,11-tricarbonitrile
CID 72504206
8-iminoocta-1,3,5,7-tetraene-1,1,2,6,7-pentacarbonitrile
CID 5236546
2-acetyl-5-(dimethylamino)penta-2,4-dienenitrile
CID 123475271
(Z)-2-cyano-N'-methylbut-2-enimidamide
CID 144543745
2-cyano-5-methoxy-N,N-dimethylpenta-2,4-dienamide
CID 54524751
(E)-2-cyanobut-2-enamide
CID 88621085
dimethyl 2-cyano-4-[(1R)-1-cyano-3-methoxy-3-oxopropyl]-6-(iminomethylidene)hepta-2,4-dienedioate
CID 136734092
(2Z)-2-(aminomethylidene)-N,3-dimethylbutanimidoyl cyanide
CID 153364034
(3E,5E,7E,9E,11E,13Z,15E,17E)-3,7,12,16-tetramethylnonadeca-3,5,7,9,11,13,15,17-octaen-2-one
CID 10496105
tetramethylazanium;[(3E,5E)-2,8,8-tricyanoocta-1,3,5,7-tetraenylidene]azanide
CID 44669478
(2E,4E)-5-(dimethylamino)-2-(2,2,2-trifluoroacetyl)penta-2,4-dienenitrile
CID 75487701
[(3E,5E,7Z,9Z)-8,10-dicyano-2-[(E)-2-cyano-2-isocyano-1-phenylethenyl]-10-isocyano-9-phenyldeca-1,3,5,7,9-pentaenylidene]azanide
CID 59061713

Frequently Asked Questions

What is the IUPAC name of 2-cyano-8-(iminomethylidene)-N,N'-dimethylnona-2,4,6-trienediimidoyl dicyanide?
The IUPAC name of 2-cyano-8-(iminomethylidene)-N,N'-dimethylnona-2,4,6-trienediimidoyl dicyanide (CID 72512163) is 2-cyano-8-(iminomethylidene)-N,N'-dimethylnona-2,4,6-trienediimidoyl dicyanide.
What is the SMILES notation for 2-cyano-8-(iminomethylidene)-N,N'-dimethylnona-2,4,6-trienediimidoyl dicyanide?
The canonical SMILES for 2-cyano-8-(iminomethylidene)-N,N'-dimethylnona-2,4,6-trienediimidoyl dicyanide is C/N=C(\C#N)C(=C=N)C=CC=CC=C(C#N)/C(C#N)=N/C.
What is the InChIKey of 2-cyano-8-(iminomethylidene)-N,N'-dimethylnona-2,4,6-trienediimidoyl dicyanide?
The InChIKey is UGOGGAWNCSGGCD-YUAGXCPGSA-N. The full InChI is InChI=1S/C15H12N6/c1-20-14(10-18)12(8-16)6-4-3-5-7-13(9-17)15(11-19)21-2/h3-7,16H,1-2H3/b5-3?,6-4?,13-7?,20-14+,21-15+.
What are the key properties of 2-cyano-8-(iminomethylidene)-N,N'-dimethylnona-2,4,6-trienediimidoyl dicyanide?
2-cyano-8-(iminomethylidene)-N,N'-dimethylnona-2,4,6-trienediimidoyl dicyanide has a molecular weight of 276.30 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-8-(iminomethylidene)-N,N'-dimethylnona-2,4,6-trienediimidoyl dicyanide is sourced from PubChem (CID 72512163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).