2-(2-cyanobutan-2-yldiazenyl)-2-methylbutanenitrile;2-(2-cyanobutan-2-yldiazenyl)-2-methylheptanenitrile;2-(2-cyanobutan-2-yldiazenyl)-2-methylpentanenitrile;2-(2-cyanoheptan-2-yldiazenyl)-2-methylheptanenitrile;2-(2-cyanopentan-2-yldiazenyl)-2-methylheptanenitrile;2-(2-cyanopentan-2-yldiazenyl)-2-methylpentanenitrile

C76H128N24 — CID 173276451

IUPAC2-(2-cyanobutan-2-yldiazenyl)-2-methylbutanenitrile;2-(2-cyanobutan-2-yldiazenyl)-2-methylheptanenitrile;2-(2-cyanobutan-2-yldiazenyl)-2-methylpentanenitrile;2-(2-cyanoheptan-2-yldiazenyl)-2-methylheptanenitrile;2-(2-cyanopentan-2-yldiazenyl)-2-methylheptanenitrile;2-(2-cyanopentan-2-yldiazenyl)-2-methylpentanenitrile
SMILESCCC(C)(C#N)/N=N/C(C)(C#N)CC.CCCC(C)(C#N)/N=N/C(C)(C#N)CC.CCCC(C)(C#N)/N=N/C(C)(C#N)CCC.CCCCCC(C)(C#N)/N=N/C(C)(C#N)CC.CCCCCC(C)(C#N)/N=N/C(C)(C#N)CCC.CCCCCC(C)(C#N)/N=N/C(C)(C#N)CCCCC
InChIInChI=1S/C16H28N4.C14H24N4.C13H22N4.C12H20N4.C11H18N4.C10H16N4/c1-5-7-9-11-15(3,13-17)19-20-16(4,14-18)12-10-8-6-2;1-5-7-8-10-14(4,12-16)18-17-13(3,11-15)9-6-2;1-5-7-8-9-13(4,11-15)17-16-12(3,6-2)10-14;1-5-7-11(3,9-13)15-16-12(4,10-14)8-6-2;1-5-7-11(4,9-13)15-14-10(3,6-2)8-12;1-5-9(3,7-11)13-14-10(4,6-2)8-12/h5-12H2,1-4H3;5-10H2,1-4H3;5-9H2,1-4H3;5-8H2,1-4H3;5-7H2,1-4H3;5-6H2,1-4H3/b20-19+;18-17+;17-16+;16-15+;15-14+;14-13+
InChIKeyOLCRCLMTGWQXIT-WFOQDLEQSA-N
MW1378.03 g/mol
LogP23.18
Rot. Bonds40

About 2-(2-cyanobutan-2-yldiazenyl)-2-methylbutanenitrile;2-(2-cyanobutan-2-yldiazenyl)-2-methylheptanenitrile;2-(2-cyanobutan-2-yldiazenyl)-2-methylpentanenitrile;2-(2-cyanoheptan-2-yldiazenyl)-2-methylheptanenitrile;2-(2-cyanopentan-2-yldiazenyl)-2-methylheptanenitrile;2-(2-cyanopentan-2-yldiazenyl)-2-methylpentanenitrile

2-(2-cyanobutan-2-yldiazenyl)-2-methylbutanenitrile;2-(2-cyanobutan-2-yldiazenyl)-2-methylheptanenitrile;2-(2-cyanobutan-2-yldiazenyl)-2-methylpentanenitrile;2-(2-cyanoheptan-2-yldiazenyl)-2-methylheptanenitrile;2-(2-cyanopentan-2-yldiazenyl)-2-methylheptanenitrile;2-(2-cyanopentan-2-yldiazenyl)-2-methylpentanenitrile (PubChem CID 173276451) has the molecular formula C76H128N24 and a molecular weight of 1378.03 g/mol. Its IUPAC name is 2-(2-cyanobutan-2-yldiazenyl)-2-methylbutanenitrile;2-(2-cyanobutan-2-yldiazenyl)-2-methylheptanenitrile;2-(2-cyanobutan-2-yldiazenyl)-2-methylpentanenitrile;2-(2-cyanoheptan-2-yldiazenyl)-2-methylheptanenitrile;2-(2-cyanopentan-2-yldiazenyl)-2-methylheptanenitrile;2-(2-cyanopentan-2-yldiazenyl)-2-methylpentanenitrile.

Molecular Properties

Compound Name2-(2-cyanobutan-2-yldiazenyl)-2-methylbutanenitrile;2-(2-cyanobutan-2-yldiazenyl)-2-methylheptanenitrile;2-(2-cyanobutan-2-yldiazenyl)-2-methylpentanenitrile;2-(2-cyanoheptan-2-yldiazenyl)-2-methylheptanenitrile;2-(2-cyanopentan-2-yldiazenyl)-2-methylheptanenitrile;2-(2-cyanopentan-2-yldiazenyl)-2-methylpentanenitrile
PubChem CID173276451
Molecular FormulaC76H128N24
Molecular Weight1378.03 g/mol
Exact Mass1377.08
IUPAC Name2-(2-cyanobutan-2-yldiazenyl)-2-methylbutanenitrile;2-(2-cyanobutan-2-yldiazenyl)-2-methylheptanenitrile;2-(2-cyanobutan-2-yldiazenyl)-2-methylpentanenitrile;2-(2-cyanoheptan-2-yldiazenyl)-2-methylheptanenitrile;2-(2-cyanopentan-2-yldiazenyl)-2-methylheptanenitrile;2-(2-cyanopentan-2-yldiazenyl)-2-methylpentanenitrile
SMILESCCC(C)(C#N)/N=N/C(C)(C#N)CC.CCCC(C)(C#N)/N=N/C(C)(C#N)CC.CCCC(C)(C#N)/N=N/C(C)(C#N)CCC.CCCCCC(C)(C#N)/N=N/C(C)(C#N)CC.CCCCCC(C)(C#N)/N=N/C(C)(C#N)CCC.CCCCCC(C)(C#N)/N=N/C(C)(C#N)CCCCC
InChIInChI=1S/C16H28N4.C14H24N4.C13H22N4.C12H20N4.C11H18N4.C10H16N4/c1-5-7-9-11-15(3,13-17)19-20-16(4,14-18)12-10-8-6-2;1-5-7-8-10-14(4,12-16)18-17-13(3,11-15)9-6-2;1-5-7-8-9-13(4,11-15)17-16-12(3,6-2)10-14;1-5-7-11(3,9-13)15-16-12(4,10-14)8-6-2;1-5-7-11(4,9-13)15-14-10(3,6-2)8-12;1-5-9(3,7-11)13-14-10(4,6-2)8-12/h5-12H2,1-4H3;5-10H2,1-4H3;5-9H2,1-4H3;5-8H2,1-4H3;5-7H2,1-4H3;5-6H2,1-4H3/b20-19+;18-17+;17-16+;16-15+;15-14+;14-13+
InChIKeyOLCRCLMTGWQXIT-WFOQDLEQSA-N
XLogP23.18
TPSA433.80 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds40
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001378.03
LogP ≤ 523.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

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'}

Analyze 2-(2-cyanobutan-2-yldiazenyl)-2-methylbutanenitrile;2-(2-cyanobutan-2-yldiazenyl)-2-methylheptanenitrile;2-(2-cyanobutan-2-yldiazenyl)-2-methylpentanenitrile;2-(2-cyanoheptan-2-yldiazenyl)-2-methylheptanenitrile;2-(2-cyanopentan-2-yldiazenyl)-2-methylheptanenitrile;2-(2-cyanopentan-2-yldiazenyl)-2-methylpentanenitrile with MolForge

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Related Compounds

2-(2-cyanobutan-2-yldiazenyl)-2-methylpentanenitrile
CID 18913437
2-(1-cyanopentyldiazenyl)-2-methylheptanenitrile
CID 57303424
2-(tert-butyldiazenyl)-5-[4-(tert-butyldiazenyl)-4-cyanopentyl]peroxy-2-methylpentanenitrile
CID 88810761
dodecane-5,5,6,6-tetracarbonitrile
CID 88846112
2-(2-cyanobutan-2-yldiazenyl)pentanenitrile
CID 139813830
2-ethyl-2-methylhexanenitrile
CID 57197936
3-hydroxy-2,2,3-trimethyloctanenitrile
CID 80560062
2-[(2-cyano-4-hydroxybutan-2-yl)diazenyl]-4-hydroxy-2-methylbutanenitrile;2-[(2-cyano-1-hydroxypropan-2-yl)diazenyl]-3-hydroxy-2-methylpropanenitrile
CID 160702229
4-(2-cyanohexan-2-yliminomethyl)-4-ethyloctanenitrile
CID 88785588
2-methyltricosan-2-ylazanium chloride
CID 22269541
N-(4-methyloctan-4-yl)methanimine
CID 163935005
boric acid;2-hexyl-2-methyloctanenitrile
CID 175281254

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanobutan-2-yldiazenyl)-2-methylbutanenitrile;2-(2-cyanobutan-2-yldiazenyl)-2-methylheptanenitrile;2-(2-cyanobutan-2-yldiazenyl)-2-methylpentanenitrile;2-(2-cyanoheptan-2-yldiazenyl)-2-methylheptanenitrile;2-(2-cyanopentan-2-yldiazenyl)-2-methylheptanenitrile;2-(2-cyanopentan-2-yldiazenyl)-2-methylpentanenitrile?
The IUPAC name of 2-(2-cyanobutan-2-yldiazenyl)-2-methylbutanenitrile;2-(2-cyanobutan-2-yldiazenyl)-2-methylheptanenitrile;2-(2-cyanobutan-2-yldiazenyl)-2-methylpentanenitrile;2-(2-cyanoheptan-2-yldiazenyl)-2-methylheptanenitrile;2-(2-cyanopentan-2-yldiazenyl)-2-methylheptanenitrile;2-(2-cyanopentan-2-yldiazenyl)-2-methylpentanenitrile (CID 173276451) is 2-(2-cyanobutan-2-yldiazenyl)-2-methylbutanenitrile;2-(2-cyanobutan-2-yldiazenyl)-2-methylheptanenitrile;2-(2-cyanobutan-2-yldiazenyl)-2-methylpentanenitrile;2-(2-cyanoheptan-2-yldiazenyl)-2-methylheptanenitrile;2-(2-cyanopentan-2-yldiazenyl)-2-methylheptanenitrile;2-(2-cyanopentan-2-yldiazenyl)-2-methylpentanenitrile.
What is the SMILES notation for 2-(2-cyanobutan-2-yldiazenyl)-2-methylbutanenitrile;2-(2-cyanobutan-2-yldiazenyl)-2-methylheptanenitrile;2-(2-cyanobutan-2-yldiazenyl)-2-methylpentanenitrile;2-(2-cyanoheptan-2-yldiazenyl)-2-methylheptanenitrile;2-(2-cyanopentan-2-yldiazenyl)-2-methylheptanenitrile;2-(2-cyanopentan-2-yldiazenyl)-2-methylpentanenitrile?
The canonical SMILES for 2-(2-cyanobutan-2-yldiazenyl)-2-methylbutanenitrile;2-(2-cyanobutan-2-yldiazenyl)-2-methylheptanenitrile;2-(2-cyanobutan-2-yldiazenyl)-2-methylpentanenitrile;2-(2-cyanoheptan-2-yldiazenyl)-2-methylheptanenitrile;2-(2-cyanopentan-2-yldiazenyl)-2-methylheptanenitrile;2-(2-cyanopentan-2-yldiazenyl)-2-methylpentanenitrile is CCC(C)(C#N)/N=N/C(C)(C#N)CC.CCCC(C)(C#N)/N=N/C(C)(C#N)CC.CCCC(C)(C#N)/N=N/C(C)(C#N)CCC.CCCCCC(C)(C#N)/N=N/C(C)(C#N)CC.CCCCCC(C)(C#N)/N=N/C(C)(C#N)CCC.CCCCCC(C)(C#N)/N=N/C(C)(C#N)CCCCC.
What is the InChIKey of 2-(2-cyanobutan-2-yldiazenyl)-2-methylbutanenitrile;2-(2-cyanobutan-2-yldiazenyl)-2-methylheptanenitrile;2-(2-cyanobutan-2-yldiazenyl)-2-methylpentanenitrile;2-(2-cyanoheptan-2-yldiazenyl)-2-methylheptanenitrile;2-(2-cyanopentan-2-yldiazenyl)-2-methylheptanenitrile;2-(2-cyanopentan-2-yldiazenyl)-2-methylpentanenitrile?
The InChIKey is OLCRCLMTGWQXIT-WFOQDLEQSA-N. The full InChI is InChI=1S/C16H28N4.C14H24N4.C13H22N4.C12H20N4.C11H18N4.C10H16N4/c1-5-7-9-11-15(3,13-17)19-20-16(4,14-18)12-10-8-6-2;1-5-7-8-10-14(4,12-16)18-17-13(3,11-15)9-6-2;1-5-7-8-9-13(4,11-15)17-16-12(3,6-2)10-14;1-5-7-11(3,9-13)15-16-12(4,10-14)8-6-2;1-5-7-11(4,9-13)15-14-10(3,6-2)8-12;1-5-9(3,7-11)13-14-10(4,6-2)8-12/h5-12H2,1-4H3;5-10H2,1-4H3;5-9H2,1-4H3;5-8H2,1-4H3;5-7H2,1-4H3;5-6H2,1-4H3/b20-19+;18-17+;17-16+;16-15+;15-14+;14-13+.
What are the key properties of 2-(2-cyanobutan-2-yldiazenyl)-2-methylbutanenitrile;2-(2-cyanobutan-2-yldiazenyl)-2-methylheptanenitrile;2-(2-cyanobutan-2-yldiazenyl)-2-methylpentanenitrile;2-(2-cyanoheptan-2-yldiazenyl)-2-methylheptanenitrile;2-(2-cyanopentan-2-yldiazenyl)-2-methylheptanenitrile;2-(2-cyanopentan-2-yldiazenyl)-2-methylpentanenitrile?
2-(2-cyanobutan-2-yldiazenyl)-2-methylbutanenitrile;2-(2-cyanobutan-2-yldiazenyl)-2-methylheptanenitrile;2-(2-cyanobutan-2-yldiazenyl)-2-methylpentanenitrile;2-(2-cyanoheptan-2-yldiazenyl)-2-methylheptanenitrile;2-(2-cyanopentan-2-yldiazenyl)-2-methylheptanenitrile;2-(2-cyanopentan-2-yldiazenyl)-2-methylpentanenitrile has a molecular weight of 1378.03 g/mol, XLogP of 23.18, 40 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanobutan-2-yldiazenyl)-2-methylbutanenitrile;2-(2-cyanobutan-2-yldiazenyl)-2-methylheptanenitrile;2-(2-cyanobutan-2-yldiazenyl)-2-methylpentanenitrile;2-(2-cyanoheptan-2-yldiazenyl)-2-methylheptanenitrile;2-(2-cyanopentan-2-yldiazenyl)-2-methylheptanenitrile;2-(2-cyanopentan-2-yldiazenyl)-2-methylpentanenitrile is sourced from PubChem (CID 173276451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).