2-[(1-cyano-4-methylpentyl)diazenyl]-5-methylhexanenitrile

C14H24N4 — CID 25116814

IUPAC2-[(1-cyano-4-methylpentyl)diazenyl]-5-methylhexanenitrile
SMILESCC(C)CCC(C#N)/N=N/C(C#N)CCC(C)C
InChIInChI=1S/C14H24N4/c1-11(2)5-7-13(9-15)17-18-14(10-16)8-6-12(3)4/h11-14H,5-8H2,1-4H3/b18-17+
InChIKeyTUAISOZDUDDURS-ISLYRVAYSA-N
MW248.37 g/mol
LogP4.10
Rot. Bonds8

About 2-[(1-cyano-4-methylpentyl)diazenyl]-5-methylhexanenitrile

2-[(1-cyano-4-methylpentyl)diazenyl]-5-methylhexanenitrile (PubChem CID 25116814) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[(1-cyano-4-methylpentyl)diazenyl]-5-methylhexanenitrile.

Molecular Properties

Compound Name2-[(1-cyano-4-methylpentyl)diazenyl]-5-methylhexanenitrile
PubChem CID25116814
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name2-[(1-cyano-4-methylpentyl)diazenyl]-5-methylhexanenitrile
SMILESCC(C)CCC(C#N)/N=N/C(C#N)CCC(C)C
InChIInChI=1S/C14H24N4/c1-11(2)5-7-13(9-15)17-18-14(10-16)8-6-12(3)4/h11-14H,5-8H2,1-4H3/b18-17+
InChIKeyTUAISOZDUDDURS-ISLYRVAYSA-N
XLogP4.10
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 ≤ 54.10
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-[(1-cyano-4-methylpentyl)diazenyl]-5-methylhexanenitrile?
The IUPAC name of 2-[(1-cyano-4-methylpentyl)diazenyl]-5-methylhexanenitrile (CID 25116814) is 2-[(1-cyano-4-methylpentyl)diazenyl]-5-methylhexanenitrile.
What is the SMILES notation for 2-[(1-cyano-4-methylpentyl)diazenyl]-5-methylhexanenitrile?
The canonical SMILES for 2-[(1-cyano-4-methylpentyl)diazenyl]-5-methylhexanenitrile is CC(C)CCC(C#N)/N=N/C(C#N)CCC(C)C.
What is the InChIKey of 2-[(1-cyano-4-methylpentyl)diazenyl]-5-methylhexanenitrile?
The InChIKey is TUAISOZDUDDURS-ISLYRVAYSA-N. The full InChI is InChI=1S/C14H24N4/c1-11(2)5-7-13(9-15)17-18-14(10-16)8-6-12(3)4/h11-14H,5-8H2,1-4H3/b18-17+.
What are the key properties of 2-[(1-cyano-4-methylpentyl)diazenyl]-5-methylhexanenitrile?
2-[(1-cyano-4-methylpentyl)diazenyl]-5-methylhexanenitrile has a molecular weight of 248.37 g/mol, XLogP of 4.10, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyano-4-methylpentyl)diazenyl]-5-methylhexanenitrile is sourced from PubChem (CID 25116814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).