2-(1-cyanoheptyldiazenyl)octanenitrile

C16H28N4 — CID 57173501

IUPAC2-(1-cyanoheptyldiazenyl)octanenitrile
SMILESCCCCCCC(C#N)/N=N/C(C#N)CCCCCC
InChIInChI=1S/C16H28N4/c1-3-5-7-9-11-15(13-17)19-20-16(14-18)12-10-8-6-4-2/h15-16H,3-12H2,1-2H3/b20-19+
InChIKeyGMNKNYOLRVAXRT-FMQUCBEESA-N
MW276.43 g/mol
LogP5.16
Rot. Bonds12

About 2-(1-cyanoheptyldiazenyl)octanenitrile

2-(1-cyanoheptyldiazenyl)octanenitrile (PubChem CID 57173501) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 2-(1-cyanoheptyldiazenyl)octanenitrile.

Molecular Properties

Compound Name2-(1-cyanoheptyldiazenyl)octanenitrile
PubChem CID57173501
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name2-(1-cyanoheptyldiazenyl)octanenitrile
SMILESCCCCCCC(C#N)/N=N/C(C#N)CCCCCC
InChIInChI=1S/C16H28N4/c1-3-5-7-9-11-15(13-17)19-20-16(14-18)12-10-8-6-4-2/h15-16H,3-12H2,1-2H3/b20-19+
InChIKeyGMNKNYOLRVAXRT-FMQUCBEESA-N
XLogP5.16
TPSA72.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.43
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyanoheptyldiazenyl)octanenitrile?
The IUPAC name of 2-(1-cyanoheptyldiazenyl)octanenitrile (CID 57173501) is 2-(1-cyanoheptyldiazenyl)octanenitrile.
What is the SMILES notation for 2-(1-cyanoheptyldiazenyl)octanenitrile?
The canonical SMILES for 2-(1-cyanoheptyldiazenyl)octanenitrile is CCCCCCC(C#N)/N=N/C(C#N)CCCCCC.
What is the InChIKey of 2-(1-cyanoheptyldiazenyl)octanenitrile?
The InChIKey is GMNKNYOLRVAXRT-FMQUCBEESA-N. The full InChI is InChI=1S/C16H28N4/c1-3-5-7-9-11-15(13-17)19-20-16(14-18)12-10-8-6-4-2/h15-16H,3-12H2,1-2H3/b20-19+.
What are the key properties of 2-(1-cyanoheptyldiazenyl)octanenitrile?
2-(1-cyanoheptyldiazenyl)octanenitrile has a molecular weight of 276.43 g/mol, XLogP of 5.16, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyanoheptyldiazenyl)octanenitrile is sourced from PubChem (CID 57173501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).