2-(4-tert-butyl-1-methylcyclohexyl)butanedinitrile

C15H24N2 — CID 15169244

IUPAC2-(4-tert-butyl-1-methylcyclohexyl)butanedinitrile
SMILESCC(C)(C)C1CCC(C)(C(C#N)CC#N)CC1
InChIInChI=1S/C15H24N2/c1-14(2,3)12-5-8-15(4,9-6-12)13(11-17)7-10-16/h12-13H,5-9H2,1-4H3
InChIKeyGATAOBVHJDKGIR-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.28
Rot. Bonds2

About 2-(4-tert-butyl-1-methylcyclohexyl)butanedinitrile

2-(4-tert-butyl-1-methylcyclohexyl)butanedinitrile (PubChem CID 15169244) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-(4-tert-butyl-1-methylcyclohexyl)butanedinitrile.

Molecular Properties

Compound Name2-(4-tert-butyl-1-methylcyclohexyl)butanedinitrile
PubChem CID15169244
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name2-(4-tert-butyl-1-methylcyclohexyl)butanedinitrile
SMILESCC(C)(C)C1CCC(C)(C(C#N)CC#N)CC1
InChIInChI=1S/C15H24N2/c1-14(2,3)12-5-8-15(4,9-6-12)13(11-17)7-10-16/h12-13H,5-9H2,1-4H3
InChIKeyGATAOBVHJDKGIR-UHFFFAOYSA-N
XLogP4.28
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-1-methylcyclohexyl)butanedinitrile?
The IUPAC name of 2-(4-tert-butyl-1-methylcyclohexyl)butanedinitrile (CID 15169244) is 2-(4-tert-butyl-1-methylcyclohexyl)butanedinitrile.
What is the SMILES notation for 2-(4-tert-butyl-1-methylcyclohexyl)butanedinitrile?
The canonical SMILES for 2-(4-tert-butyl-1-methylcyclohexyl)butanedinitrile is CC(C)(C)C1CCC(C)(C(C#N)CC#N)CC1.
What is the InChIKey of 2-(4-tert-butyl-1-methylcyclohexyl)butanedinitrile?
The InChIKey is GATAOBVHJDKGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-14(2,3)12-5-8-15(4,9-6-12)13(11-17)7-10-16/h12-13H,5-9H2,1-4H3.
What are the key properties of 2-(4-tert-butyl-1-methylcyclohexyl)butanedinitrile?
2-(4-tert-butyl-1-methylcyclohexyl)butanedinitrile has a molecular weight of 232.37 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-1-methylcyclohexyl)butanedinitrile is sourced from PubChem (CID 15169244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).