2-[(2-cyano-3,3-dimethylbutan-2-yl)diazenyl]-2,3,3-trimethylbutanenitrile;2-[(3-cyano-2-methylpentan-3-yl)diazenyl]-2-ethyl-3-methylbutanenitrile

C28H48N8 — CID 87122980

IUPAC2-[(2-cyano-3,3-dimethylbutan-2-yl)diazenyl]-2,3,3-trimethylbutanenitrile;2-[(3-cyano-2-methylpentan-3-yl)diazenyl]-2-ethyl-3-methylbutanenitrile
SMILESCC(C)(C)C(C)(C#N)/N=N/C(C)(C#N)C(C)(C)C.CCC(C#N)(/N=N/C(C#N)(CC)C(C)C)C(C)C
InChIInChI=1S/2C14H24N4/c1-11(2,3)13(7,9-15)17-18-14(8,10-16)12(4,5)6;1-7-13(9-15,11(3)4)17-18-14(8-2,10-16)12(5)6/h1-8H3;11-12H,7-8H2,1-6H3/b2*18-17+
InChIKeyOHRDHHMXXQQIJW-HAMGIEOISA-N
MW496.75 g/mol
LogP8.19
Rot. Bonds8

About 2-[(2-cyano-3,3-dimethylbutan-2-yl)diazenyl]-2,3,3-trimethylbutanenitrile;2-[(3-cyano-2-methylpentan-3-yl)diazenyl]-2-ethyl-3-methylbutanenitrile

2-[(2-cyano-3,3-dimethylbutan-2-yl)diazenyl]-2,3,3-trimethylbutanenitrile;2-[(3-cyano-2-methylpentan-3-yl)diazenyl]-2-ethyl-3-methylbutanenitrile (PubChem CID 87122980) has the molecular formula C28H48N8 and a molecular weight of 496.75 g/mol. Its IUPAC name is 2-[(2-cyano-3,3-dimethylbutan-2-yl)diazenyl]-2,3,3-trimethylbutanenitrile;2-[(3-cyano-2-methylpentan-3-yl)diazenyl]-2-ethyl-3-methylbutanenitrile.

Molecular Properties

Compound Name2-[(2-cyano-3,3-dimethylbutan-2-yl)diazenyl]-2,3,3-trimethylbutanenitrile;2-[(3-cyano-2-methylpentan-3-yl)diazenyl]-2-ethyl-3-methylbutanenitrile
PubChem CID87122980
Molecular FormulaC28H48N8
Molecular Weight496.75 g/mol
Exact Mass496.40
IUPAC Name2-[(2-cyano-3,3-dimethylbutan-2-yl)diazenyl]-2,3,3-trimethylbutanenitrile;2-[(3-cyano-2-methylpentan-3-yl)diazenyl]-2-ethyl-3-methylbutanenitrile
SMILESCC(C)(C)C(C)(C#N)/N=N/C(C)(C#N)C(C)(C)C.CCC(C#N)(/N=N/C(C#N)(CC)C(C)C)C(C)C
InChIInChI=1S/2C14H24N4/c1-11(2,3)13(7,9-15)17-18-14(8,10-16)12(4,5)6;1-7-13(9-15,11(3)4)17-18-14(8-2,10-16)12(5)6/h1-8H3;11-12H,7-8H2,1-6H3/b2*18-17+
InChIKeyOHRDHHMXXQQIJW-HAMGIEOISA-N
XLogP8.19
TPSA144.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.75
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

2,2-dimethylbutanenitrile;ethane
CID 144998313
2,2-dimethylbutanenitrile;2,2-dimethylpropanenitrile
CID 159256086
2,3-dimethyl-2-silylbutanenitrile
CID 175377699
2-(2-cyanobutan-2-yldiazenyl)pentanenitrile
CID 139813830
2-(2-cyanobutan-2-yldiazenyl)-4-methoxy-2-methyl-5-oxopentanenitrile
CID 142205651
2-(diethylamino)-2,3-dimethylbutanenitrile
CID 43802750
2,2-dimethylbutanenitrile;silicic acid
CID 175510249
ethane;2-ethyl-2-methylbutanenitrile
CID 162762947
2-ethyl-3-methyl-2-(propan-2-ylamino)butanenitrile
CID 60925665
2-(2-cyanobutan-2-yldiazenyl)-2-methylpentanenitrile
CID 18913437
2-(1-fluorobutyldiazenyl)-2-methylpropanenitrile
CID 90459630
2-(ethylamino)-3-methyl-2-propan-2-ylbutanenitrile
CID 141254263

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyano-3,3-dimethylbutan-2-yl)diazenyl]-2,3,3-trimethylbutanenitrile;2-[(3-cyano-2-methylpentan-3-yl)diazenyl]-2-ethyl-3-methylbutanenitrile?
The IUPAC name of 2-[(2-cyano-3,3-dimethylbutan-2-yl)diazenyl]-2,3,3-trimethylbutanenitrile;2-[(3-cyano-2-methylpentan-3-yl)diazenyl]-2-ethyl-3-methylbutanenitrile (CID 87122980) is 2-[(2-cyano-3,3-dimethylbutan-2-yl)diazenyl]-2,3,3-trimethylbutanenitrile;2-[(3-cyano-2-methylpentan-3-yl)diazenyl]-2-ethyl-3-methylbutanenitrile.
What is the SMILES notation for 2-[(2-cyano-3,3-dimethylbutan-2-yl)diazenyl]-2,3,3-trimethylbutanenitrile;2-[(3-cyano-2-methylpentan-3-yl)diazenyl]-2-ethyl-3-methylbutanenitrile?
The canonical SMILES for 2-[(2-cyano-3,3-dimethylbutan-2-yl)diazenyl]-2,3,3-trimethylbutanenitrile;2-[(3-cyano-2-methylpentan-3-yl)diazenyl]-2-ethyl-3-methylbutanenitrile is CC(C)(C)C(C)(C#N)/N=N/C(C)(C#N)C(C)(C)C.CCC(C#N)(/N=N/C(C#N)(CC)C(C)C)C(C)C.
What is the InChIKey of 2-[(2-cyano-3,3-dimethylbutan-2-yl)diazenyl]-2,3,3-trimethylbutanenitrile;2-[(3-cyano-2-methylpentan-3-yl)diazenyl]-2-ethyl-3-methylbutanenitrile?
The InChIKey is OHRDHHMXXQQIJW-HAMGIEOISA-N. The full InChI is InChI=1S/2C14H24N4/c1-11(2,3)13(7,9-15)17-18-14(8,10-16)12(4,5)6;1-7-13(9-15,11(3)4)17-18-14(8-2,10-16)12(5)6/h1-8H3;11-12H,7-8H2,1-6H3/b2*18-17+.
What are the key properties of 2-[(2-cyano-3,3-dimethylbutan-2-yl)diazenyl]-2,3,3-trimethylbutanenitrile;2-[(3-cyano-2-methylpentan-3-yl)diazenyl]-2-ethyl-3-methylbutanenitrile?
2-[(2-cyano-3,3-dimethylbutan-2-yl)diazenyl]-2,3,3-trimethylbutanenitrile;2-[(3-cyano-2-methylpentan-3-yl)diazenyl]-2-ethyl-3-methylbutanenitrile has a molecular weight of 496.75 g/mol, XLogP of 8.19, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyano-3,3-dimethylbutan-2-yl)diazenyl]-2,3,3-trimethylbutanenitrile;2-[(3-cyano-2-methylpentan-3-yl)diazenyl]-2-ethyl-3-methylbutanenitrile is sourced from PubChem (CID 87122980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).