3,3,5-trimethyl-1-(2-methylbutan-2-yldiazenyl)cyclohexane-1-carbonitrile

C15H27N3 — CID 70520206

IUPAC3,3,5-trimethyl-1-(2-methylbutan-2-yldiazenyl)cyclohexane-1-carbonitrile
SMILESCCC(C)(C)/N=N/C1(C#N)CC(C)CC(C)(C)C1
InChIInChI=1S/C15H27N3/c1-7-14(5,6)17-18-15(11-16)9-12(2)8-13(3,4)10-15/h12H,7-10H2,1-6H3/b18-17+
InChIKeySSNATNKHQGDEQO-ISLYRVAYSA-N
MW249.40 g/mol
LogP4.74
Rot. Bonds3

About 3,3,5-trimethyl-1-(2-methylbutan-2-yldiazenyl)cyclohexane-1-carbonitrile

3,3,5-trimethyl-1-(2-methylbutan-2-yldiazenyl)cyclohexane-1-carbonitrile (PubChem CID 70520206) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 3,3,5-trimethyl-1-(2-methylbutan-2-yldiazenyl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name3,3,5-trimethyl-1-(2-methylbutan-2-yldiazenyl)cyclohexane-1-carbonitrile
PubChem CID70520206
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name3,3,5-trimethyl-1-(2-methylbutan-2-yldiazenyl)cyclohexane-1-carbonitrile
SMILESCCC(C)(C)/N=N/C1(C#N)CC(C)CC(C)(C)C1
InChIInChI=1S/C15H27N3/c1-7-14(5,6)17-18-15(11-16)9-12(2)8-13(3,4)10-15/h12H,7-10H2,1-6H3/b18-17+
InChIKeySSNATNKHQGDEQO-ISLYRVAYSA-N
XLogP4.74
TPSA48.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.74
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 3,3,5-trimethyl-1-(2-methylbutan-2-yldiazenyl)cyclohexane-1-carbonitrile?
The IUPAC name of 3,3,5-trimethyl-1-(2-methylbutan-2-yldiazenyl)cyclohexane-1-carbonitrile (CID 70520206) is 3,3,5-trimethyl-1-(2-methylbutan-2-yldiazenyl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 3,3,5-trimethyl-1-(2-methylbutan-2-yldiazenyl)cyclohexane-1-carbonitrile?
The canonical SMILES for 3,3,5-trimethyl-1-(2-methylbutan-2-yldiazenyl)cyclohexane-1-carbonitrile is CCC(C)(C)/N=N/C1(C#N)CC(C)CC(C)(C)C1.
What is the InChIKey of 3,3,5-trimethyl-1-(2-methylbutan-2-yldiazenyl)cyclohexane-1-carbonitrile?
The InChIKey is SSNATNKHQGDEQO-ISLYRVAYSA-N. The full InChI is InChI=1S/C15H27N3/c1-7-14(5,6)17-18-15(11-16)9-12(2)8-13(3,4)10-15/h12H,7-10H2,1-6H3/b18-17+.
What are the key properties of 3,3,5-trimethyl-1-(2-methylbutan-2-yldiazenyl)cyclohexane-1-carbonitrile?
3,3,5-trimethyl-1-(2-methylbutan-2-yldiazenyl)cyclohexane-1-carbonitrile has a molecular weight of 249.40 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethyl-1-(2-methylbutan-2-yldiazenyl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 70520206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).