2,2-dimethylbutanenitrile;2,2-dimethylpropanenitrile

C11H20N2 — CID 159256086

IUPAC2,2-dimethylbutanenitrile;2,2-dimethylpropanenitrile
SMILESCC(C)(C)C#N.CCC(C)(C)C#N
InChIInChI=1S/C6H11N.C5H9N/c1-4-6(2,3)5-7;1-5(2,3)4-6/h4H2,1-3H3;1-3H3
InChIKeyKVXLBLNSIUSXLC-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.50
Rot. Bonds1

About 2,2-dimethylbutanenitrile;2,2-dimethylpropanenitrile

2,2-dimethylbutanenitrile;2,2-dimethylpropanenitrile (PubChem CID 159256086) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 2,2-dimethylbutanenitrile;2,2-dimethylpropanenitrile.

Molecular Properties

Compound Name2,2-dimethylbutanenitrile;2,2-dimethylpropanenitrile
PubChem CID159256086
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name2,2-dimethylbutanenitrile;2,2-dimethylpropanenitrile
SMILESCC(C)(C)C#N.CCC(C)(C)C#N
InChIInChI=1S/C6H11N.C5H9N/c1-4-6(2,3)5-7;1-5(2,3)4-6/h4H2,1-3H3;1-3H3
InChIKeyKVXLBLNSIUSXLC-UHFFFAOYSA-N
XLogP3.50
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethylbutanenitrile;ethane
CID 144998313
2,2-dimethylbutanenitrile;silicic acid
CID 175510249
ethane;2-ethyl-2-methylbutanenitrile
CID 162762947
2,2-dimethylpropanenitrile;tris(2-methanidyl-2-methylpropane);vanadium
CID 134898427
4-[butan-2-yl(methyl)amino]-2,2-dimethylbutanenitrile
CID 65251542
2,2-dimethylpentanedinitrile
CID 19809777
4-fluoro-2,2-dimethylbutanenitrile
CID 126977208
2-chloro-2-(trichloromethyl)butanenitrile
CID 139961947
3-cyanopentan-3-ylphosphanium
CID 173400189
4-ethylsulfonyl-2,2-dimethylbutanenitrile
CID 65263436
(3S)-3-hydroxy-2,2,5,5-tetramethylhexanedinitrile
CID 166777724
4-(diethylamino)-2,2-dimethylbutanenitrile
CID 65251314

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylbutanenitrile;2,2-dimethylpropanenitrile?
The IUPAC name of 2,2-dimethylbutanenitrile;2,2-dimethylpropanenitrile (CID 159256086) is 2,2-dimethylbutanenitrile;2,2-dimethylpropanenitrile.
What is the SMILES notation for 2,2-dimethylbutanenitrile;2,2-dimethylpropanenitrile?
The canonical SMILES for 2,2-dimethylbutanenitrile;2,2-dimethylpropanenitrile is CC(C)(C)C#N.CCC(C)(C)C#N.
What is the InChIKey of 2,2-dimethylbutanenitrile;2,2-dimethylpropanenitrile?
The InChIKey is KVXLBLNSIUSXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N.C5H9N/c1-4-6(2,3)5-7;1-5(2,3)4-6/h4H2,1-3H3;1-3H3.
What are the key properties of 2,2-dimethylbutanenitrile;2,2-dimethylpropanenitrile?
2,2-dimethylbutanenitrile;2,2-dimethylpropanenitrile has a molecular weight of 180.29 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylbutanenitrile;2,2-dimethylpropanenitrile is sourced from PubChem (CID 159256086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).