2-(1-cyanopentyldiazenyl)hexanenitrile

C12H20N4 — CID 15014955

IUPAC2-(1-cyanopentyldiazenyl)hexanenitrile
SMILESCCCCC(C#N)/N=N/C(C#N)CCCC
InChIInChI=1S/C12H20N4/c1-3-5-7-11(9-13)15-16-12(10-14)8-6-4-2/h11-12H,3-8H2,1-2H3/b16-15+
InChIKeyQWVZBLUHLPHHTJ-FOCLMDBBSA-N
MW220.32 g/mol
LogP3.60
Rot. Bonds8

About 2-(1-cyanopentyldiazenyl)hexanenitrile

2-(1-cyanopentyldiazenyl)hexanenitrile (PubChem CID 15014955) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-(1-cyanopentyldiazenyl)hexanenitrile.

Molecular Properties

Compound Name2-(1-cyanopentyldiazenyl)hexanenitrile
PubChem CID15014955
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name2-(1-cyanopentyldiazenyl)hexanenitrile
SMILESCCCCC(C#N)/N=N/C(C#N)CCCC
InChIInChI=1S/C12H20N4/c1-3-5-7-11(9-13)15-16-12(10-14)8-6-4-2/h11-12H,3-8H2,1-2H3/b16-15+
InChIKeyQWVZBLUHLPHHTJ-FOCLMDBBSA-N
XLogP3.60
TPSA72.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5,5'-(1,2-Diazenediyl)bis[pentanenitrile]
CID 21271056
Azoisoheptanenitrile
CID 25116814
4-[(E)-tert-Butyldiazenyl]heptanedinitrile
CID 13706749
Pentanenitrile, 2,2'-azobis-
CID 11644070
4-(4-Cyanobutan-2-yldiazenyl)pentanenitrile
CID 13725336
4-Azidopentanonitrile
CID 20505518
2-(1-Cyanohexyldiazenyl)heptanenitrile
CID 22227493
5-(6-Cyanohexan-3-yldiazenyl)heptanenitrile
CID 23505058
5-(5-Cyanohexan-2-yldiazenyl)-2-methylhexanenitrile
CID 53974515
6-(5-Cyanopentyldiazenyl)hexanenitrile
CID 54180537
7-(6-Cyanohexyldiazenyl)heptanenitrile
CID 54478345
2-(1-Cyanoheptyldiazenyl)octanenitrile
CID 57173501

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyanopentyldiazenyl)hexanenitrile?
The IUPAC name of 2-(1-cyanopentyldiazenyl)hexanenitrile (CID 15014955) is 2-(1-cyanopentyldiazenyl)hexanenitrile.
What is the SMILES notation for 2-(1-cyanopentyldiazenyl)hexanenitrile?
The canonical SMILES for 2-(1-cyanopentyldiazenyl)hexanenitrile is CCCCC(C#N)/N=N/C(C#N)CCCC.
What is the InChIKey of 2-(1-cyanopentyldiazenyl)hexanenitrile?
The InChIKey is QWVZBLUHLPHHTJ-FOCLMDBBSA-N. The full InChI is InChI=1S/C12H20N4/c1-3-5-7-11(9-13)15-16-12(10-14)8-6-4-2/h11-12H,3-8H2,1-2H3/b16-15+.
What are the key properties of 2-(1-cyanopentyldiazenyl)hexanenitrile?
2-(1-cyanopentyldiazenyl)hexanenitrile has a molecular weight of 220.32 g/mol, XLogP of 3.60, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyanopentyldiazenyl)hexanenitrile is sourced from PubChem (CID 15014955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).