2,2-dimethylbutanenitrile;ethane

C10H23N — CID 144998313

IUPAC2,2-dimethylbutanenitrile;ethane
SMILESCC.CC.CCC(C)(C)C#N
InChIInChI=1S/C6H11N.2C2H6/c1-4-6(2,3)5-7;2*1-2/h4H2,1-3H3;2*1-2H3
InChIKeyULCIUZRLHFXIAD-UHFFFAOYSA-N
MW157.30 g/mol
LogP4.00
Rot. Bonds1

About 2,2-dimethylbutanenitrile;ethane

2,2-dimethylbutanenitrile;ethane (PubChem CID 144998313) has the molecular formula C10H23N and a molecular weight of 157.30 g/mol. Its IUPAC name is 2,2-dimethylbutanenitrile;ethane.

Molecular Properties

Compound Name2,2-dimethylbutanenitrile;ethane
PubChem CID144998313
Molecular FormulaC10H23N
Molecular Weight157.30 g/mol
Exact Mass157.18
IUPAC Name2,2-dimethylbutanenitrile;ethane
SMILESCC.CC.CCC(C)(C)C#N
InChIInChI=1S/C6H11N.2C2H6/c1-4-6(2,3)5-7;2*1-2/h4H2,1-3H3;2*1-2H3
InChIKeyULCIUZRLHFXIAD-UHFFFAOYSA-N
XLogP4.00
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.30
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethylbutanenitrile;2,2-dimethylpropanenitrile
CID 159256086
2,2-dimethylbutanenitrile;silicic acid
CID 175510249
ethane;2-ethyl-2-methylbutanenitrile
CID 162762947
4-(diethylamino)-2,2-dimethylbutanenitrile
CID 65251314
2,2-dimethylpent-4-enenitrile;ethane
CID 144998306
4-[butan-2-yl(methyl)amino]-2,2-dimethylbutanenitrile
CID 65251542
4-fluoro-2,2-dimethylbutanenitrile
CID 126977208
2,2-dimethylpentanedinitrile
CID 19809777
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

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylbutanenitrile;ethane?
The IUPAC name of 2,2-dimethylbutanenitrile;ethane (CID 144998313) is 2,2-dimethylbutanenitrile;ethane.
What is the SMILES notation for 2,2-dimethylbutanenitrile;ethane?
The canonical SMILES for 2,2-dimethylbutanenitrile;ethane is CC.CC.CCC(C)(C)C#N.
What is the InChIKey of 2,2-dimethylbutanenitrile;ethane?
The InChIKey is ULCIUZRLHFXIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N.2C2H6/c1-4-6(2,3)5-7;2*1-2/h4H2,1-3H3;2*1-2H3.
What are the key properties of 2,2-dimethylbutanenitrile;ethane?
2,2-dimethylbutanenitrile;ethane has a molecular weight of 157.30 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylbutanenitrile;ethane is sourced from PubChem (CID 144998313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).