2-methylpropanedinitrile

C4H4N2 — CID 19425

IUPAC2-methylpropanedinitrile
SMILESCC(C#N)C#N
InChIInChI=1S/C4H4N2/c1-4(2-5)3-6/h4H,1H3
InChIKeyLXUTYOVUICAOGH-UHFFFAOYSA-N
MW80.09 g/mol
LogP0.67
Rot. Bonds

About 2-methylpropanedinitrile

2-methylpropanedinitrile (PubChem CID 19425) has the molecular formula C4H4N2 and a molecular weight of 80.09 g/mol. Its IUPAC name is 2-methylpropanedinitrile.

Molecular Properties

Compound Name2-methylpropanedinitrile
PubChem CID19425
Molecular FormulaC4H4N2
Molecular Weight80.09 g/mol
Exact Mass80.04
IUPAC Name2-methylpropanedinitrile
SMILESCC(C#N)C#N
InChIInChI=1S/C4H4N2/c1-4(2-5)3-6/h4H,1H3
InChIKeyLXUTYOVUICAOGH-UHFFFAOYSA-N
XLogP0.67
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50080.09
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

hydron;bis(2-methylpropanenitrile)
CID 174938927
azane;bis(2-methylpropanenitrile)
CID 146171697
dicyano-bis[di(propan-2-yl)amino]phosphanium
CID 24975528
(2S)-2-aminopropanenitrile;hydrochloride
CID 71757440
2-methylpropanenitrile;tetrachloromethane
CID 174700163
1-cyanoethanesulfonyl chloride
CID 15259931
oxalonitrile;tetrakis(propan-2-ol)
CID 175130826
(2S)-2-(15N)azanyl-3-methylbutanenitrile
CID 101019785
3-methyl-2-sulfanylbutanenitrile
CID 144612060
2-(3-methylbutan-2-yl)propanedinitrile
CID 11788325
2,4-dimethyl-3-propan-2-ylpentanenitrile
CID 59610837
2-methyl-3-[methyl(propan-2-yl)amino]propanenitrile
CID 43367383

Frequently Asked Questions

What is the IUPAC name of 2-methylpropanedinitrile?
The IUPAC name of 2-methylpropanedinitrile (CID 19425) is 2-methylpropanedinitrile.
What is the SMILES notation for 2-methylpropanedinitrile?
The canonical SMILES for 2-methylpropanedinitrile is CC(C#N)C#N.
What is the InChIKey of 2-methylpropanedinitrile?
The InChIKey is LXUTYOVUICAOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2/c1-4(2-5)3-6/h4H,1H3.
What are the key properties of 2-methylpropanedinitrile?
2-methylpropanedinitrile has a molecular weight of 80.09 g/mol, XLogP of 0.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropanedinitrile is sourced from PubChem (CID 19425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).