2-(2-cyanopentan-2-yldiazenyl)-2-methylheptanenitrile

C14H24N4 — CID 6453658

IUPAC2-(2-cyanopentan-2-yldiazenyl)-2-methylheptanenitrile
SMILESCCCCCC(C)(C#N)/N=N/C(C)(C#N)CCC
InChIInChI=1S/C14H24N4/c1-5-7-8-10-14(4,12-16)18-17-13(3,11-15)9-6-2/h5-10H2,1-4H3/b18-17+
InChIKeyKWFCIHNVFTVTDC-ISLYRVAYSA-N
MW248.37 g/mol
LogP4.38
Rot. Bonds8

About 2-(2-cyanopentan-2-yldiazenyl)-2-methylheptanenitrile

2-(2-cyanopentan-2-yldiazenyl)-2-methylheptanenitrile (PubChem CID 6453658) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(2-cyanopentan-2-yldiazenyl)-2-methylheptanenitrile.

Molecular Properties

Compound Name2-(2-cyanopentan-2-yldiazenyl)-2-methylheptanenitrile
PubChem CID6453658
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name2-(2-cyanopentan-2-yldiazenyl)-2-methylheptanenitrile
SMILESCCCCCC(C)(C#N)/N=N/C(C)(C#N)CCC
InChIInChI=1S/C14H24N4/c1-5-7-8-10-14(4,12-16)18-17-13(3,11-15)9-6-2/h5-10H2,1-4H3/b18-17+
InChIKeyKWFCIHNVFTVTDC-ISLYRVAYSA-N
XLogP4.38
TPSA72.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.38
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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Related Compounds

Pentanenitrile, 2,2'-(1,2-diazenediyl)bis[2-methyl-
CID 206038
Heptanenitrile, 2,2'-azobis[2-methyl-
CID 6453657
Heptanenitrile, 2-[2-(1-cyano-1-methylpropyl)diazenyl]-2-methyl-
CID 6453665
Pentanenitrile, 2-[2-(1-cyano-1-methylpropyl)diazenyl]-2-methyl-
CID 18913437
2,2'-Azobis(2,4-dimethylvaleronitrile)
CID 91537
1-(tert-Butylazo)-1-cyclohexanecarbonitrile
CID 91298
1-[2-(1,1-Dimethylpropyl)diazenyl]cyclohexanecarbonitrile
CID 91932
2,2'-(1,2-Diazenediyl)bis(2-methyloctanenitrile)
CID 21394077
2,2'-Azobis(2,4-diethylvaleronitrile)
CID 54040720
1-Azidocyclododecanecarbonitrile
CID 24974192
4-[(4-Cyano-2-methylpentan-2-yl)diazenyl]-2,4-dimethylpentanenitrile
CID 9837806
2-(2-Cyanohexan-2-yldiazenyl)-2-methylhexanenitrile
CID 14592126

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanopentan-2-yldiazenyl)-2-methylheptanenitrile?
The IUPAC name of 2-(2-cyanopentan-2-yldiazenyl)-2-methylheptanenitrile (CID 6453658) is 2-(2-cyanopentan-2-yldiazenyl)-2-methylheptanenitrile.
What is the SMILES notation for 2-(2-cyanopentan-2-yldiazenyl)-2-methylheptanenitrile?
The canonical SMILES for 2-(2-cyanopentan-2-yldiazenyl)-2-methylheptanenitrile is CCCCCC(C)(C#N)/N=N/C(C)(C#N)CCC.
What is the InChIKey of 2-(2-cyanopentan-2-yldiazenyl)-2-methylheptanenitrile?
The InChIKey is KWFCIHNVFTVTDC-ISLYRVAYSA-N. The full InChI is InChI=1S/C14H24N4/c1-5-7-8-10-14(4,12-16)18-17-13(3,11-15)9-6-2/h5-10H2,1-4H3/b18-17+.
What are the key properties of 2-(2-cyanopentan-2-yldiazenyl)-2-methylheptanenitrile?
2-(2-cyanopentan-2-yldiazenyl)-2-methylheptanenitrile has a molecular weight of 248.37 g/mol, XLogP of 4.38, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanopentan-2-yldiazenyl)-2-methylheptanenitrile is sourced from PubChem (CID 6453658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).