2-(2-cyanohexan-2-yldiazenyl)-2-methylhexanenitrile

C14H24N4 — CID 14592126

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

About 2-(2-cyanohexan-2-yldiazenyl)-2-methylhexanenitrile

2-(2-cyanohexan-2-yldiazenyl)-2-methylhexanenitrile (PubChem CID 14592126) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(2-cyanohexan-2-yldiazenyl)-2-methylhexanenitrile.

Molecular Properties

Compound Name2-(2-cyanohexan-2-yldiazenyl)-2-methylhexanenitrile
PubChem CID14592126
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name2-(2-cyanohexan-2-yldiazenyl)-2-methylhexanenitrile
SMILESCCCCC(C)(C#N)/N=N/C(C)(C#N)CCCC
InChIInChI=1S/C14H24N4/c1-5-7-9-13(3,11-15)17-18-14(4,12-16)10-8-6-2/h5-10H2,1-4H3/b18-17+
InChIKeyVNVQXUMJYAKQBV-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': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanohexan-2-yldiazenyl)-2-methylhexanenitrile?
The IUPAC name of 2-(2-cyanohexan-2-yldiazenyl)-2-methylhexanenitrile (CID 14592126) is 2-(2-cyanohexan-2-yldiazenyl)-2-methylhexanenitrile.
What is the SMILES notation for 2-(2-cyanohexan-2-yldiazenyl)-2-methylhexanenitrile?
The canonical SMILES for 2-(2-cyanohexan-2-yldiazenyl)-2-methylhexanenitrile is CCCCC(C)(C#N)/N=N/C(C)(C#N)CCCC.
What is the InChIKey of 2-(2-cyanohexan-2-yldiazenyl)-2-methylhexanenitrile?
The InChIKey is VNVQXUMJYAKQBV-ISLYRVAYSA-N. The full InChI is InChI=1S/C14H24N4/c1-5-7-9-13(3,11-15)17-18-14(4,12-16)10-8-6-2/h5-10H2,1-4H3/b18-17+.
What are the key properties of 2-(2-cyanohexan-2-yldiazenyl)-2-methylhexanenitrile?
2-(2-cyanohexan-2-yldiazenyl)-2-methylhexanenitrile 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-cyanohexan-2-yldiazenyl)-2-methylhexanenitrile is sourced from PubChem (CID 14592126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).