1-[(1-cyano-4-methylcyclohexyl)diazenyl]-4-methylcyclohexane-1-carbonitrile

C16H24N4 — CID 70850405

IUPAC1-[(1-cyano-4-methylcyclohexyl)diazenyl]-4-methylcyclohexane-1-carbonitrile
SMILESCC1CCC(C#N)(/N=N/C2(C#N)CCC(C)CC2)CC1
InChIInChI=1S/C16H24N4/c1-13-3-7-15(11-17,8-4-13)19-20-16(12-18)9-5-14(2)6-10-16/h13-14H,3-10H2,1-2H3/b20-19+
InChIKeyWXDXOXMHQKRHPP-FMQUCBEESA-N
MW272.40 g/mol
LogP4.38
Rot. Bonds2

About 1-[(1-cyano-4-methylcyclohexyl)diazenyl]-4-methylcyclohexane-1-carbonitrile

1-[(1-cyano-4-methylcyclohexyl)diazenyl]-4-methylcyclohexane-1-carbonitrile (PubChem CID 70850405) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 1-[(1-cyano-4-methylcyclohexyl)diazenyl]-4-methylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-[(1-cyano-4-methylcyclohexyl)diazenyl]-4-methylcyclohexane-1-carbonitrile
PubChem CID70850405
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name1-[(1-cyano-4-methylcyclohexyl)diazenyl]-4-methylcyclohexane-1-carbonitrile
SMILESCC1CCC(C#N)(/N=N/C2(C#N)CCC(C)CC2)CC1
InChIInChI=1S/C16H24N4/c1-13-3-7-15(11-17,8-4-13)19-20-16(12-18)9-5-14(2)6-10-16/h13-14H,3-10H2,1-2H3/b20-19+
InChIKeyWXDXOXMHQKRHPP-FMQUCBEESA-N
XLogP4.38
TPSA72.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
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 1-[(1-cyano-4-methylcyclohexyl)diazenyl]-4-methylcyclohexane-1-carbonitrile?
The IUPAC name of 1-[(1-cyano-4-methylcyclohexyl)diazenyl]-4-methylcyclohexane-1-carbonitrile (CID 70850405) is 1-[(1-cyano-4-methylcyclohexyl)diazenyl]-4-methylcyclohexane-1-carbonitrile.
What is the SMILES notation for 1-[(1-cyano-4-methylcyclohexyl)diazenyl]-4-methylcyclohexane-1-carbonitrile?
The canonical SMILES for 1-[(1-cyano-4-methylcyclohexyl)diazenyl]-4-methylcyclohexane-1-carbonitrile is CC1CCC(C#N)(/N=N/C2(C#N)CCC(C)CC2)CC1.
What is the InChIKey of 1-[(1-cyano-4-methylcyclohexyl)diazenyl]-4-methylcyclohexane-1-carbonitrile?
The InChIKey is WXDXOXMHQKRHPP-FMQUCBEESA-N. The full InChI is InChI=1S/C16H24N4/c1-13-3-7-15(11-17,8-4-13)19-20-16(12-18)9-5-14(2)6-10-16/h13-14H,3-10H2,1-2H3/b20-19+.
What are the key properties of 1-[(1-cyano-4-methylcyclohexyl)diazenyl]-4-methylcyclohexane-1-carbonitrile?
1-[(1-cyano-4-methylcyclohexyl)diazenyl]-4-methylcyclohexane-1-carbonitrile has a molecular weight of 272.40 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyano-4-methylcyclohexyl)diazenyl]-4-methylcyclohexane-1-carbonitrile is sourced from PubChem (CID 70850405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).