2-tert-butyl-2,3,3-trimethylbutanenitrile

C11H21N — CID 20714171

IUPAC2-tert-butyl-2,3,3-trimethylbutanenitrile
SMILESCC(C)(C)C(C)(C#N)C(C)(C)C
InChIInChI=1S/C11H21N/c1-9(2,3)11(7,8-12)10(4,5)6/h1-7H3
InChIKeyCNTSYGLBEJXVCC-UHFFFAOYSA-N
MW167.30 g/mol
LogP3.61
Rot. Bonds

About 2-tert-butyl-2,3,3-trimethylbutanenitrile

2-tert-butyl-2,3,3-trimethylbutanenitrile (PubChem CID 20714171) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 2-tert-butyl-2,3,3-trimethylbutanenitrile.

Molecular Properties

Compound Name2-tert-butyl-2,3,3-trimethylbutanenitrile
PubChem CID20714171
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name2-tert-butyl-2,3,3-trimethylbutanenitrile
SMILESCC(C)(C)C(C)(C#N)C(C)(C)C
InChIInChI=1S/C11H21N/c1-9(2,3)11(7,8-12)10(4,5)6/h1-7H3
InChIKeyCNTSYGLBEJXVCC-UHFFFAOYSA-N
XLogP3.61
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2,3,3-trimethylbutanenitrile?
The IUPAC name of 2-tert-butyl-2,3,3-trimethylbutanenitrile (CID 20714171) is 2-tert-butyl-2,3,3-trimethylbutanenitrile.
What is the SMILES notation for 2-tert-butyl-2,3,3-trimethylbutanenitrile?
The canonical SMILES for 2-tert-butyl-2,3,3-trimethylbutanenitrile is CC(C)(C)C(C)(C#N)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-2,3,3-trimethylbutanenitrile?
The InChIKey is CNTSYGLBEJXVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-9(2,3)11(7,8-12)10(4,5)6/h1-7H3.
What are the key properties of 2-tert-butyl-2,3,3-trimethylbutanenitrile?
2-tert-butyl-2,3,3-trimethylbutanenitrile has a molecular weight of 167.30 g/mol, XLogP of 3.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2,3,3-trimethylbutanenitrile is sourced from PubChem (CID 20714171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).