2,3-dimethylbutanedinitrile

C6H8N2 — CID 543121

IUPAC2,3-dimethylbutanedinitrile
SMILESCC(C#N)C(C)C#N
InChIInChI=1S/C6H8N2/c1-5(3-7)6(2)4-8/h5-6H,1-2H3
InChIKeyUJEJQKVERRRQQD-UHFFFAOYSA-N
MW108.14 g/mol
LogP1.31
Rot. Bonds1

About 2,3-dimethylbutanedinitrile

2,3-dimethylbutanedinitrile (PubChem CID 543121) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is 2,3-dimethylbutanedinitrile.

Molecular Properties

Compound Name2,3-dimethylbutanedinitrile
PubChem CID543121
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name2,3-dimethylbutanedinitrile
SMILESCC(C#N)C(C)C#N
InChIInChI=1S/C6H8N2/c1-5(3-7)6(2)4-8/h5-6H,1-2H3
InChIKeyUJEJQKVERRRQQD-UHFFFAOYSA-N
XLogP1.31
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutanedinitrile?
The IUPAC name of 2,3-dimethylbutanedinitrile (CID 543121) is 2,3-dimethylbutanedinitrile.
What is the SMILES notation for 2,3-dimethylbutanedinitrile?
The canonical SMILES for 2,3-dimethylbutanedinitrile is CC(C#N)C(C)C#N.
What is the InChIKey of 2,3-dimethylbutanedinitrile?
The InChIKey is UJEJQKVERRRQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2/c1-5(3-7)6(2)4-8/h5-6H,1-2H3.
What are the key properties of 2,3-dimethylbutanedinitrile?
2,3-dimethylbutanedinitrile has a molecular weight of 108.14 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutanedinitrile is sourced from PubChem (CID 543121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).