2-methyl-2-(N,2,4,5-tetramethylanilino)propanenitrile

C14H20N2 — CID 115129160

IUPAC2-methyl-2-(N,2,4,5-tetramethylanilino)propanenitrile
SMILESCc1cc(C)c(N(C)C(C)(C)C#N)cc1C
InChIInChI=1S/C14H20N2/c1-10-7-12(3)13(8-11(10)2)16(6)14(4,5)9-15/h7-8H,1-6H3
InChIKeyKFSIPTWULJMKGS-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.35
Rot. Bonds2

About 2-methyl-2-(N,2,4,5-tetramethylanilino)propanenitrile

2-methyl-2-(N,2,4,5-tetramethylanilino)propanenitrile (PubChem CID 115129160) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2-methyl-2-(N,2,4,5-tetramethylanilino)propanenitrile.

Molecular Properties

Compound Name2-methyl-2-(N,2,4,5-tetramethylanilino)propanenitrile
PubChem CID115129160
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name2-methyl-2-(N,2,4,5-tetramethylanilino)propanenitrile
SMILESCc1cc(C)c(N(C)C(C)(C)C#N)cc1C
InChIInChI=1S/C14H20N2/c1-10-7-12(3)13(8-11(10)2)16(6)14(4,5)9-15/h7-8H,1-6H3
InChIKeyKFSIPTWULJMKGS-UHFFFAOYSA-N
XLogP3.35
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(N,2,4,5-tetramethylanilino)propanenitrile?
The IUPAC name of 2-methyl-2-(N,2,4,5-tetramethylanilino)propanenitrile (CID 115129160) is 2-methyl-2-(N,2,4,5-tetramethylanilino)propanenitrile.
What is the SMILES notation for 2-methyl-2-(N,2,4,5-tetramethylanilino)propanenitrile?
The canonical SMILES for 2-methyl-2-(N,2,4,5-tetramethylanilino)propanenitrile is Cc1cc(C)c(N(C)C(C)(C)C#N)cc1C.
What is the InChIKey of 2-methyl-2-(N,2,4,5-tetramethylanilino)propanenitrile?
The InChIKey is KFSIPTWULJMKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-10-7-12(3)13(8-11(10)2)16(6)14(4,5)9-15/h7-8H,1-6H3.
What are the key properties of 2-methyl-2-(N,2,4,5-tetramethylanilino)propanenitrile?
2-methyl-2-(N,2,4,5-tetramethylanilino)propanenitrile has a molecular weight of 216.33 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(N,2,4,5-tetramethylanilino)propanenitrile is sourced from PubChem (CID 115129160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).