4-(dimethylamino)-2,2-dimethylbutanenitrile

C8H16N2 — CID 65252047

IUPAC4-(dimethylamino)-2,2-dimethylbutanenitrile
SMILESCN(C)CCC(C)(C)C#N
InChIInChI=1S/C8H16N2/c1-8(2,7-9)5-6-10(3)4/h5-6H2,1-4H3
InChIKeyIZSXRJNZNBRBET-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.49
Rot. Bonds3

About 4-(dimethylamino)-2,2-dimethylbutanenitrile

4-(dimethylamino)-2,2-dimethylbutanenitrile (PubChem CID 65252047) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 4-(dimethylamino)-2,2-dimethylbutanenitrile.

Molecular Properties

Compound Name4-(dimethylamino)-2,2-dimethylbutanenitrile
PubChem CID65252047
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name4-(dimethylamino)-2,2-dimethylbutanenitrile
SMILESCN(C)CCC(C)(C)C#N
InChIInChI=1S/C8H16N2/c1-8(2,7-9)5-6-10(3)4/h5-6H2,1-4H3
InChIKeyIZSXRJNZNBRBET-UHFFFAOYSA-N
XLogP1.49
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2,2-dimethylbutanenitrile?
The IUPAC name of 4-(dimethylamino)-2,2-dimethylbutanenitrile (CID 65252047) is 4-(dimethylamino)-2,2-dimethylbutanenitrile.
What is the SMILES notation for 4-(dimethylamino)-2,2-dimethylbutanenitrile?
The canonical SMILES for 4-(dimethylamino)-2,2-dimethylbutanenitrile is CN(C)CCC(C)(C)C#N.
What is the InChIKey of 4-(dimethylamino)-2,2-dimethylbutanenitrile?
The InChIKey is IZSXRJNZNBRBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-8(2,7-9)5-6-10(3)4/h5-6H2,1-4H3.
What are the key properties of 4-(dimethylamino)-2,2-dimethylbutanenitrile?
4-(dimethylamino)-2,2-dimethylbutanenitrile has a molecular weight of 140.23 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2,2-dimethylbutanenitrile is sourced from PubChem (CID 65252047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).