2-(1,6-dicyanohexyldiazenyl)octanedinitrile

C16H22N6 — CID 163210902

IUPAC2-(1,6-dicyanohexyldiazenyl)octanedinitrile
SMILESN#CCCCCCC(C#N)/N=N/C(C#N)CCCCCC#N
InChIInChI=1S/C16H22N6/c17-11-7-3-1-5-9-15(13-19)21-22-16(14-20)10-6-2-4-8-12-18/h15-16H,1-10H2/b22-21+
InChIKeyFZXVGVBSJGZISY-QURGRASLSA-N
MW298.39 g/mol
LogP4.17
Rot. Bonds12

About 2-(1,6-dicyanohexyldiazenyl)octanedinitrile

2-(1,6-dicyanohexyldiazenyl)octanedinitrile (PubChem CID 163210902) has the molecular formula C16H22N6 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-(1,6-dicyanohexyldiazenyl)octanedinitrile.

Molecular Properties

Compound Name2-(1,6-dicyanohexyldiazenyl)octanedinitrile
PubChem CID163210902
Molecular FormulaC16H22N6
Molecular Weight298.39 g/mol
Exact Mass298.19
IUPAC Name2-(1,6-dicyanohexyldiazenyl)octanedinitrile
SMILESN#CCCCCCC(C#N)/N=N/C(C#N)CCCCCC#N
InChIInChI=1S/C16H22N6/c17-11-7-3-1-5-9-15(13-19)21-22-16(14-20)10-6-2-4-8-12-18/h15-16H,1-10H2/b22-21+
InChIKeyFZXVGVBSJGZISY-QURGRASLSA-N
XLogP4.17
TPSA119.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(1,6-dicyanohexyldiazenyl)octanedinitrile?
The IUPAC name of 2-(1,6-dicyanohexyldiazenyl)octanedinitrile (CID 163210902) is 2-(1,6-dicyanohexyldiazenyl)octanedinitrile.
What is the SMILES notation for 2-(1,6-dicyanohexyldiazenyl)octanedinitrile?
The canonical SMILES for 2-(1,6-dicyanohexyldiazenyl)octanedinitrile is N#CCCCCCC(C#N)/N=N/C(C#N)CCCCCC#N.
What is the InChIKey of 2-(1,6-dicyanohexyldiazenyl)octanedinitrile?
The InChIKey is FZXVGVBSJGZISY-QURGRASLSA-N. The full InChI is InChI=1S/C16H22N6/c17-11-7-3-1-5-9-15(13-19)21-22-16(14-20)10-6-2-4-8-12-18/h15-16H,1-10H2/b22-21+.
What are the key properties of 2-(1,6-dicyanohexyldiazenyl)octanedinitrile?
2-(1,6-dicyanohexyldiazenyl)octanedinitrile has a molecular weight of 298.39 g/mol, XLogP of 4.17, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,6-dicyanohexyldiazenyl)octanedinitrile is sourced from PubChem (CID 163210902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).