2-(4-tert-butyl-2,6-dimethylphenyl)-2-methylcyclopropane-1-carbonitrile

C17H23N — CID 116841857

IUPAC2-(4-tert-butyl-2,6-dimethylphenyl)-2-methylcyclopropane-1-carbonitrile
SMILESCc1cc(C(C)(C)C)cc(C)c1C1(C)CC1C#N
InChIInChI=1S/C17H23N/c1-11-7-13(16(3,4)5)8-12(2)15(11)17(6)9-14(17)10-18/h7-8,14H,9H2,1-6H3
InChIKeyAMTHPFDIHIZCBU-UHFFFAOYSA-N
MW241.38 g/mol
LogP4.40
Rot. Bonds1

About 2-(4-tert-butyl-2,6-dimethylphenyl)-2-methylcyclopropane-1-carbonitrile

2-(4-tert-butyl-2,6-dimethylphenyl)-2-methylcyclopropane-1-carbonitrile (PubChem CID 116841857) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-(4-tert-butyl-2,6-dimethylphenyl)-2-methylcyclopropane-1-carbonitrile.

Molecular Properties

Compound Name2-(4-tert-butyl-2,6-dimethylphenyl)-2-methylcyclopropane-1-carbonitrile
PubChem CID116841857
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name2-(4-tert-butyl-2,6-dimethylphenyl)-2-methylcyclopropane-1-carbonitrile
SMILESCc1cc(C(C)(C)C)cc(C)c1C1(C)CC1C#N
InChIInChI=1S/C17H23N/c1-11-7-13(16(3,4)5)8-12(2)15(11)17(6)9-14(17)10-18/h7-8,14H,9H2,1-6H3
InChIKeyAMTHPFDIHIZCBU-UHFFFAOYSA-N
XLogP4.40
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2,6-dimethylphenyl)-2-methylcyclopropane-1-carbonitrile?
The IUPAC name of 2-(4-tert-butyl-2,6-dimethylphenyl)-2-methylcyclopropane-1-carbonitrile (CID 116841857) is 2-(4-tert-butyl-2,6-dimethylphenyl)-2-methylcyclopropane-1-carbonitrile.
What is the SMILES notation for 2-(4-tert-butyl-2,6-dimethylphenyl)-2-methylcyclopropane-1-carbonitrile?
The canonical SMILES for 2-(4-tert-butyl-2,6-dimethylphenyl)-2-methylcyclopropane-1-carbonitrile is Cc1cc(C(C)(C)C)cc(C)c1C1(C)CC1C#N.
What is the InChIKey of 2-(4-tert-butyl-2,6-dimethylphenyl)-2-methylcyclopropane-1-carbonitrile?
The InChIKey is AMTHPFDIHIZCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N/c1-11-7-13(16(3,4)5)8-12(2)15(11)17(6)9-14(17)10-18/h7-8,14H,9H2,1-6H3.
What are the key properties of 2-(4-tert-butyl-2,6-dimethylphenyl)-2-methylcyclopropane-1-carbonitrile?
2-(4-tert-butyl-2,6-dimethylphenyl)-2-methylcyclopropane-1-carbonitrile has a molecular weight of 241.38 g/mol, XLogP of 4.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-2,6-dimethylphenyl)-2-methylcyclopropane-1-carbonitrile is sourced from PubChem (CID 116841857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).