2-(4-tert-butyl-2,6-dimethylanilino)-2-methylpropanenitrile

C16H24N2 — CID 115129007

IUPAC2-(4-tert-butyl-2,6-dimethylanilino)-2-methylpropanenitrile
SMILESCc1cc(C(C)(C)C)cc(C)c1NC(C)(C)C#N
InChIInChI=1S/C16H24N2/c1-11-8-13(15(3,4)5)9-12(2)14(11)18-16(6,7)10-17/h8-9,18H,1-7H3
InChIKeyKUWSATVGWZNTKI-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.32
Rot. Bonds2

About 2-(4-tert-butyl-2,6-dimethylanilino)-2-methylpropanenitrile

2-(4-tert-butyl-2,6-dimethylanilino)-2-methylpropanenitrile (PubChem CID 115129007) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-(4-tert-butyl-2,6-dimethylanilino)-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(4-tert-butyl-2,6-dimethylanilino)-2-methylpropanenitrile
PubChem CID115129007
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name2-(4-tert-butyl-2,6-dimethylanilino)-2-methylpropanenitrile
SMILESCc1cc(C(C)(C)C)cc(C)c1NC(C)(C)C#N
InChIInChI=1S/C16H24N2/c1-11-8-13(15(3,4)5)9-12(2)14(11)18-16(6,7)10-17/h8-9,18H,1-7H3
InChIKeyKUWSATVGWZNTKI-UHFFFAOYSA-N
XLogP4.32
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2,6-dimethylanilino)-2-methylpropanenitrile?
The IUPAC name of 2-(4-tert-butyl-2,6-dimethylanilino)-2-methylpropanenitrile (CID 115129007) is 2-(4-tert-butyl-2,6-dimethylanilino)-2-methylpropanenitrile.
What is the SMILES notation for 2-(4-tert-butyl-2,6-dimethylanilino)-2-methylpropanenitrile?
The canonical SMILES for 2-(4-tert-butyl-2,6-dimethylanilino)-2-methylpropanenitrile is Cc1cc(C(C)(C)C)cc(C)c1NC(C)(C)C#N.
What is the InChIKey of 2-(4-tert-butyl-2,6-dimethylanilino)-2-methylpropanenitrile?
The InChIKey is KUWSATVGWZNTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-11-8-13(15(3,4)5)9-12(2)14(11)18-16(6,7)10-17/h8-9,18H,1-7H3.
What are the key properties of 2-(4-tert-butyl-2,6-dimethylanilino)-2-methylpropanenitrile?
2-(4-tert-butyl-2,6-dimethylanilino)-2-methylpropanenitrile has a molecular weight of 244.38 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-2,6-dimethylanilino)-2-methylpropanenitrile is sourced from PubChem (CID 115129007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).