2-[(2-cyano-4,4-dimethylpentan-2-yl)diazenyl]-2,4,4-trimethylpentanenitrile

C16H28N4 — CID 22149489

IUPAC2-[(2-cyano-4,4-dimethylpentan-2-yl)diazenyl]-2,4,4-trimethylpentanenitrile
SMILESCC(C)(C)CC(C)(C#N)/N=N/C(C)(C#N)CC(C)(C)C
InChIInChI=1S/C16H28N4/c1-13(2,3)9-15(7,11-17)19-20-16(8,12-18)10-14(4,5)6/h9-10H2,1-8H3/b20-19+
InChIKeyGYAZFWRAWZSHCP-FMQUCBEESA-N
MW276.43 g/mol
LogP4.88
Rot. Bonds4

About 2-[(2-cyano-4,4-dimethylpentan-2-yl)diazenyl]-2,4,4-trimethylpentanenitrile

2-[(2-cyano-4,4-dimethylpentan-2-yl)diazenyl]-2,4,4-trimethylpentanenitrile (PubChem CID 22149489) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 2-[(2-cyano-4,4-dimethylpentan-2-yl)diazenyl]-2,4,4-trimethylpentanenitrile.

Molecular Properties

Compound Name2-[(2-cyano-4,4-dimethylpentan-2-yl)diazenyl]-2,4,4-trimethylpentanenitrile
PubChem CID22149489
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name2-[(2-cyano-4,4-dimethylpentan-2-yl)diazenyl]-2,4,4-trimethylpentanenitrile
SMILESCC(C)(C)CC(C)(C#N)/N=N/C(C)(C#N)CC(C)(C)C
InChIInChI=1S/C16H28N4/c1-13(2,3)9-15(7,11-17)19-20-16(8,12-18)10-14(4,5)6/h9-10H2,1-8H3/b20-19+
InChIKeyGYAZFWRAWZSHCP-FMQUCBEESA-N
XLogP4.88
TPSA72.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 54.88
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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Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyano-4,4-dimethylpentan-2-yl)diazenyl]-2,4,4-trimethylpentanenitrile?
The IUPAC name of 2-[(2-cyano-4,4-dimethylpentan-2-yl)diazenyl]-2,4,4-trimethylpentanenitrile (CID 22149489) is 2-[(2-cyano-4,4-dimethylpentan-2-yl)diazenyl]-2,4,4-trimethylpentanenitrile.
What is the SMILES notation for 2-[(2-cyano-4,4-dimethylpentan-2-yl)diazenyl]-2,4,4-trimethylpentanenitrile?
The canonical SMILES for 2-[(2-cyano-4,4-dimethylpentan-2-yl)diazenyl]-2,4,4-trimethylpentanenitrile is CC(C)(C)CC(C)(C#N)/N=N/C(C)(C#N)CC(C)(C)C.
What is the InChIKey of 2-[(2-cyano-4,4-dimethylpentan-2-yl)diazenyl]-2,4,4-trimethylpentanenitrile?
The InChIKey is GYAZFWRAWZSHCP-FMQUCBEESA-N. The full InChI is InChI=1S/C16H28N4/c1-13(2,3)9-15(7,11-17)19-20-16(8,12-18)10-14(4,5)6/h9-10H2,1-8H3/b20-19+.
What are the key properties of 2-[(2-cyano-4,4-dimethylpentan-2-yl)diazenyl]-2,4,4-trimethylpentanenitrile?
2-[(2-cyano-4,4-dimethylpentan-2-yl)diazenyl]-2,4,4-trimethylpentanenitrile has a molecular weight of 276.43 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyano-4,4-dimethylpentan-2-yl)diazenyl]-2,4,4-trimethylpentanenitrile is sourced from PubChem (CID 22149489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).