tetramethylazanium;[(3E,5E)-2,8,8-tricyanoocta-1,3,5,7-tetraenylidene]azanide

C15H17N5 — CID 44669478

IUPACtetramethylazanium;[(3E,5E)-2,8,8-tricyanoocta-1,3,5,7-tetraenylidene]azanide
SMILESC[N+](C)(C)C.N#CC(=C=[N-])/C=C/C=C/C=C(C#N)C#N
InChIInChI=1S/C11H5N4.C4H12N/c12-6-10(7-13)4-2-1-3-5-11(8-14)9-15;1-5(2,3)4/h1-5H;1-4H3/q-1;+1/b2-1+,5-3+;
InChIKeyVBEMMDLOTLHWFP-OVYRSGNUSA-N
MW267.34 g/mol
LogP2.08
Rot. Bonds3

About tetramethylazanium;[(3E,5E)-2,8,8-tricyanoocta-1,3,5,7-tetraenylidene]azanide

tetramethylazanium;[(3E,5E)-2,8,8-tricyanoocta-1,3,5,7-tetraenylidene]azanide (PubChem CID 44669478) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is tetramethylazanium;[(3E,5E)-2,8,8-tricyanoocta-1,3,5,7-tetraenylidene]azanide.

Molecular Properties

Compound Nametetramethylazanium;[(3E,5E)-2,8,8-tricyanoocta-1,3,5,7-tetraenylidene]azanide
PubChem CID44669478
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Nametetramethylazanium;[(3E,5E)-2,8,8-tricyanoocta-1,3,5,7-tetraenylidene]azanide
SMILESC[N+](C)(C)C.N#CC(=C=[N-])/C=C/C=C/C=C(C#N)C#N
InChIInChI=1S/C11H5N4.C4H12N/c12-6-10(7-13)4-2-1-3-5-11(8-14)9-15;1-5(2,3)4/h1-5H;1-4H3/q-1;+1/b2-1+,5-3+;
InChIKeyVBEMMDLOTLHWFP-OVYRSGNUSA-N
XLogP2.08
TPSA93.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tetramethylazanium;[(3E,5E)-2,8,8-tricyanoocta-1,3,5,7-tetraenylidene]azanide?
The IUPAC name of tetramethylazanium;[(3E,5E)-2,8,8-tricyanoocta-1,3,5,7-tetraenylidene]azanide (CID 44669478) is tetramethylazanium;[(3E,5E)-2,8,8-tricyanoocta-1,3,5,7-tetraenylidene]azanide.
What is the SMILES notation for tetramethylazanium;[(3E,5E)-2,8,8-tricyanoocta-1,3,5,7-tetraenylidene]azanide?
The canonical SMILES for tetramethylazanium;[(3E,5E)-2,8,8-tricyanoocta-1,3,5,7-tetraenylidene]azanide is C[N+](C)(C)C.N#CC(=C=[N-])/C=C/C=C/C=C(C#N)C#N.
What is the InChIKey of tetramethylazanium;[(3E,5E)-2,8,8-tricyanoocta-1,3,5,7-tetraenylidene]azanide?
The InChIKey is VBEMMDLOTLHWFP-OVYRSGNUSA-N. The full InChI is InChI=1S/C11H5N4.C4H12N/c12-6-10(7-13)4-2-1-3-5-11(8-14)9-15;1-5(2,3)4/h1-5H;1-4H3/q-1;+1/b2-1+,5-3+;.
What are the key properties of tetramethylazanium;[(3E,5E)-2,8,8-tricyanoocta-1,3,5,7-tetraenylidene]azanide?
tetramethylazanium;[(3E,5E)-2,8,8-tricyanoocta-1,3,5,7-tetraenylidene]azanide has a molecular weight of 267.34 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tetramethylazanium;[(3E,5E)-2,8,8-tricyanoocta-1,3,5,7-tetraenylidene]azanide is sourced from PubChem (CID 44669478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).