2,2-dimethylpentanedinitrile

C7H10N2 — CID 19809777

IUPAC2,2-dimethylpentanedinitrile
SMILESCC(C)(C#N)CCC#N
InChIInChI=1S/C7H10N2/c1-7(2,6-9)4-3-5-8/h3-4H2,1-2H3
InChIKeyYTAGXUZOUXMDHY-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.84
Rot. Bonds2

About 2,2-dimethylpentanedinitrile

2,2-dimethylpentanedinitrile (PubChem CID 19809777) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 2,2-dimethylpentanedinitrile.

Molecular Properties

Compound Name2,2-dimethylpentanedinitrile
PubChem CID19809777
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name2,2-dimethylpentanedinitrile
SMILESCC(C)(C#N)CCC#N
InChIInChI=1S/C7H10N2/c1-7(2,6-9)4-3-5-8/h3-4H2,1-2H3
InChIKeyYTAGXUZOUXMDHY-UHFFFAOYSA-N
XLogP1.84
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-dimethylpentanenitrile
CID 12656145
4,4-dimethylpentanenitrile;2,2-dimethylpropane
CID 165090579
2-hydroxy-2-methylpentanedinitrile
CID 23346026
4-fluoro-2,2-dimethylbutanenitrile
CID 126977208
5-methoxy-2,2,5-trimethylhexanenitrile
CID 103017221
4-methoxy-4-methylpentanenitrile
CID 89129728
3-methylsulfanylpentane-1,3,5-tricarbonitrile
CID 146474780
2,2-dimethyl-4-(methylamino)butanenitrile
CID 65247172
6-[2-cyanoethyl(propan-2-yl)amino]-2,2-dimethylhexanenitrile
CID 106709737
4,4,6-trimethylhept-6-enenitrile
CID 163774167
4-ethylsulfonyl-2,2-dimethylbutanenitrile
CID 65263436
4-(methoxymethyl)-4-methylheptanedinitrile
CID 123915841

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpentanedinitrile?
The IUPAC name of 2,2-dimethylpentanedinitrile (CID 19809777) is 2,2-dimethylpentanedinitrile.
What is the SMILES notation for 2,2-dimethylpentanedinitrile?
The canonical SMILES for 2,2-dimethylpentanedinitrile is CC(C)(C#N)CCC#N.
What is the InChIKey of 2,2-dimethylpentanedinitrile?
The InChIKey is YTAGXUZOUXMDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-7(2,6-9)4-3-5-8/h3-4H2,1-2H3.
What are the key properties of 2,2-dimethylpentanedinitrile?
2,2-dimethylpentanedinitrile has a molecular weight of 122.17 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpentanedinitrile is sourced from PubChem (CID 19809777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).