1-(tert-butyldiazenyl)-3,3,5-trimethylcyclohexane-1-carbonitrile

C14H25N3 — CID 23344750

IUPAC1-(tert-butyldiazenyl)-3,3,5-trimethylcyclohexane-1-carbonitrile
SMILESCC1CC(C)(C)CC(C#N)(/N=N/C(C)(C)C)C1
InChIInChI=1S/C14H25N3/c1-11-7-13(5,6)9-14(8-11,10-15)17-16-12(2,3)4/h11H,7-9H2,1-6H3/b17-16+
InChIKeyKWRISGHJMWGWAR-WUKNDPDISA-N
MW235.37 g/mol
LogP4.35
Rot. Bonds1

About 1-(tert-butyldiazenyl)-3,3,5-trimethylcyclohexane-1-carbonitrile

1-(tert-butyldiazenyl)-3,3,5-trimethylcyclohexane-1-carbonitrile (PubChem CID 23344750) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(tert-butyldiazenyl)-3,3,5-trimethylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(tert-butyldiazenyl)-3,3,5-trimethylcyclohexane-1-carbonitrile
PubChem CID23344750
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name1-(tert-butyldiazenyl)-3,3,5-trimethylcyclohexane-1-carbonitrile
SMILESCC1CC(C)(C)CC(C#N)(/N=N/C(C)(C)C)C1
InChIInChI=1S/C14H25N3/c1-11-7-13(5,6)9-14(8-11,10-15)17-16-12(2,3)4/h11H,7-9H2,1-6H3/b17-16+
InChIKeyKWRISGHJMWGWAR-WUKNDPDISA-N
XLogP4.35
TPSA48.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(tert-butyldiazenyl)-3,3,5-trimethylcyclohexane-1-carbonitrile?
The IUPAC name of 1-(tert-butyldiazenyl)-3,3,5-trimethylcyclohexane-1-carbonitrile (CID 23344750) is 1-(tert-butyldiazenyl)-3,3,5-trimethylcyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(tert-butyldiazenyl)-3,3,5-trimethylcyclohexane-1-carbonitrile?
The canonical SMILES for 1-(tert-butyldiazenyl)-3,3,5-trimethylcyclohexane-1-carbonitrile is CC1CC(C)(C)CC(C#N)(/N=N/C(C)(C)C)C1.
What is the InChIKey of 1-(tert-butyldiazenyl)-3,3,5-trimethylcyclohexane-1-carbonitrile?
The InChIKey is KWRISGHJMWGWAR-WUKNDPDISA-N. The full InChI is InChI=1S/C14H25N3/c1-11-7-13(5,6)9-14(8-11,10-15)17-16-12(2,3)4/h11H,7-9H2,1-6H3/b17-16+.
What are the key properties of 1-(tert-butyldiazenyl)-3,3,5-trimethylcyclohexane-1-carbonitrile?
1-(tert-butyldiazenyl)-3,3,5-trimethylcyclohexane-1-carbonitrile has a molecular weight of 235.37 g/mol, XLogP of 4.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butyldiazenyl)-3,3,5-trimethylcyclohexane-1-carbonitrile is sourced from PubChem (CID 23344750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).