2-(3-methylbutan-2-yl)propanedinitrile

C8H12N2 — CID 11788325

IUPAC2-(3-methylbutan-2-yl)propanedinitrile
SMILESCC(C)C(C)C(C#N)C#N
InChIInChI=1S/C8H12N2/c1-6(2)7(3)8(4-9)5-10/h6-8H,1-3H3
InChIKeyGDNWGUHMJQFBLD-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.94
Rot. Bonds2

About 2-(3-methylbutan-2-yl)propanedinitrile

2-(3-methylbutan-2-yl)propanedinitrile (PubChem CID 11788325) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 2-(3-methylbutan-2-yl)propanedinitrile.

Molecular Properties

Compound Name2-(3-methylbutan-2-yl)propanedinitrile
PubChem CID11788325
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name2-(3-methylbutan-2-yl)propanedinitrile
SMILESCC(C)C(C)C(C#N)C#N
InChIInChI=1S/C8H12N2/c1-6(2)7(3)8(4-9)5-10/h6-8H,1-3H3
InChIKeyGDNWGUHMJQFBLD-UHFFFAOYSA-N
XLogP1.94
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dimethyl-2-morpholin-4-ylpentanenitrile
CID 130735318
2-methylpropanedinitrile
CID 19425
hydron;bis(2-methylpropanenitrile)
CID 174938927
azane;bis(2-methylpropanenitrile)
CID 146171697
3-methyl-2-sulfanylbutanenitrile
CID 144612060
(2S)-2-(15N)azanyl-3-methylbutanenitrile
CID 101019785
2,4-dimethyl-3-propan-2-ylpentanenitrile
CID 59610837
2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81-octacontamethyldooctacontane
CID 123517328
2-ethylpropane-1,1,3,3-tetracarbonitrile
CID 14615450
2-(dimethylamino)propane-1,1,3,3-tetracarbonitrile
CID 86253478
2-[(2S)-3-methyl-1-nitrobutan-2-yl]propanedinitrile
CID 125477296
(2S)-2-aminopropanenitrile;hydrochloride
CID 71757440

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutan-2-yl)propanedinitrile?
The IUPAC name of 2-(3-methylbutan-2-yl)propanedinitrile (CID 11788325) is 2-(3-methylbutan-2-yl)propanedinitrile.
What is the SMILES notation for 2-(3-methylbutan-2-yl)propanedinitrile?
The canonical SMILES for 2-(3-methylbutan-2-yl)propanedinitrile is CC(C)C(C)C(C#N)C#N.
What is the InChIKey of 2-(3-methylbutan-2-yl)propanedinitrile?
The InChIKey is GDNWGUHMJQFBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-6(2)7(3)8(4-9)5-10/h6-8H,1-3H3.
What are the key properties of 2-(3-methylbutan-2-yl)propanedinitrile?
2-(3-methylbutan-2-yl)propanedinitrile has a molecular weight of 136.20 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutan-2-yl)propanedinitrile is sourced from PubChem (CID 11788325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).