2-methyl-2-[4-(5-methylthiophen-2-yl)phenyl]propanenitrile;2-methylpropane

C19H25NS — CID 164918825

IUPAC2-methyl-2-[4-(5-methylthiophen-2-yl)phenyl]propanenitrile;2-methylpropane
SMILESCC(C)C.Cc1ccc(-c2ccc(C(C)(C)C#N)cc2)s1
InChIInChI=1S/C15H15NS.C4H10/c1-11-4-9-14(17-11)12-5-7-13(8-6-12)15(2,3)10-16;1-4(2)3/h4-9H,1-3H3;4H,1-3H3
InChIKeyUEJZENONUHGUPE-UHFFFAOYSA-N
MW299.48 g/mol
LogP6.19
Rot. Bonds2

About 2-methyl-2-[4-(5-methylthiophen-2-yl)phenyl]propanenitrile;2-methylpropane

2-methyl-2-[4-(5-methylthiophen-2-yl)phenyl]propanenitrile;2-methylpropane (PubChem CID 164918825) has the molecular formula C19H25NS and a molecular weight of 299.48 g/mol. Its IUPAC name is 2-methyl-2-[4-(5-methylthiophen-2-yl)phenyl]propanenitrile;2-methylpropane.

Molecular Properties

Compound Name2-methyl-2-[4-(5-methylthiophen-2-yl)phenyl]propanenitrile;2-methylpropane
PubChem CID164918825
Molecular FormulaC19H25NS
Molecular Weight299.48 g/mol
Exact Mass299.17
IUPAC Name2-methyl-2-[4-(5-methylthiophen-2-yl)phenyl]propanenitrile;2-methylpropane
SMILESCC(C)C.Cc1ccc(-c2ccc(C(C)(C)C#N)cc2)s1
InChIInChI=1S/C15H15NS.C4H10/c1-11-4-9-14(17-11)12-5-7-13(8-6-12)15(2,3)10-16;1-4(2)3/h4-9H,1-3H3;4H,1-3H3
InChIKeyUEJZENONUHGUPE-UHFFFAOYSA-N
XLogP6.19
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.48
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-(5-methylthiophen-2-yl)phenyl]propanenitrile;2-methylpropane?
The IUPAC name of 2-methyl-2-[4-(5-methylthiophen-2-yl)phenyl]propanenitrile;2-methylpropane (CID 164918825) is 2-methyl-2-[4-(5-methylthiophen-2-yl)phenyl]propanenitrile;2-methylpropane.
What is the SMILES notation for 2-methyl-2-[4-(5-methylthiophen-2-yl)phenyl]propanenitrile;2-methylpropane?
The canonical SMILES for 2-methyl-2-[4-(5-methylthiophen-2-yl)phenyl]propanenitrile;2-methylpropane is CC(C)C.Cc1ccc(-c2ccc(C(C)(C)C#N)cc2)s1.
What is the InChIKey of 2-methyl-2-[4-(5-methylthiophen-2-yl)phenyl]propanenitrile;2-methylpropane?
The InChIKey is UEJZENONUHGUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NS.C4H10/c1-11-4-9-14(17-11)12-5-7-13(8-6-12)15(2,3)10-16;1-4(2)3/h4-9H,1-3H3;4H,1-3H3.
What are the key properties of 2-methyl-2-[4-(5-methylthiophen-2-yl)phenyl]propanenitrile;2-methylpropane?
2-methyl-2-[4-(5-methylthiophen-2-yl)phenyl]propanenitrile;2-methylpropane has a molecular weight of 299.48 g/mol, XLogP of 6.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-(5-methylthiophen-2-yl)phenyl]propanenitrile;2-methylpropane is sourced from PubChem (CID 164918825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).