2,3-dimethylbutanenitrile

C6H11N — CID 13158036

IUPAC2,3-dimethylbutanenitrile
SMILESCC(C)C(C)C#N
InChIInChI=1S/C6H11N/c1-5(2)6(3)4-7/h5-6H,1-3H3
InChIKeyZMRCOHMOBLASFC-UHFFFAOYSA-N
MW97.16 g/mol
LogP1.80
Rot. Bonds1

About 2,3-dimethylbutanenitrile

2,3-dimethylbutanenitrile (PubChem CID 13158036) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is 2,3-dimethylbutanenitrile.

Molecular Properties

Compound Name2,3-dimethylbutanenitrile
PubChem CID13158036
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name2,3-dimethylbutanenitrile
SMILESCC(C)C(C)C#N
InChIInChI=1S/C6H11N/c1-5(2)6(3)4-7/h5-6H,1-3H3
InChIKeyZMRCOHMOBLASFC-UHFFFAOYSA-N
XLogP1.80
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutanenitrile?
The IUPAC name of 2,3-dimethylbutanenitrile (CID 13158036) is 2,3-dimethylbutanenitrile.
What is the SMILES notation for 2,3-dimethylbutanenitrile?
The canonical SMILES for 2,3-dimethylbutanenitrile is CC(C)C(C)C#N.
What is the InChIKey of 2,3-dimethylbutanenitrile?
The InChIKey is ZMRCOHMOBLASFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N/c1-5(2)6(3)4-7/h5-6H,1-3H3.
What are the key properties of 2,3-dimethylbutanenitrile?
2,3-dimethylbutanenitrile has a molecular weight of 97.16 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutanenitrile is sourced from PubChem (CID 13158036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).