2,2-dimethylbutanedinitrile;2-methylbutanedinitrile

Name: 2,2-dimethylbutanedinitrile;2-methylbutanedinitrile — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₁H₁₄N₄ — CID 158955611

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2,2-dimethylbutanedinitrile;2-methylbutanedinitrile

SMILESCC(C#N)CC#N.CC(C)(C#N)CC#N

InChIInChI=1S/C6H8N2.C5H6N2/c1-6(2,5-8)3-4-7;1-5(4-7)2-3-6/h3H2,1-2H3;5H,2H2,1H3

InChIKeyJLYUOCFLSXQPHF-UHFFFAOYSA-N

MW202.26 g/mol

LogP2.51

Rot. Bonds2

About 2,2-dimethylbutanedinitrile;2-methylbutanedinitrile

2,2-dimethylbutanedinitrile;2-methylbutanedinitrile (PubChem CID 158955611) has the molecular formula C₁₁H₁₄N₄ and a molecular weight of 202.26 g/mol. Its IUPAC name is 2,2-dimethylbutanedinitrile;2-methylbutanedinitrile.

Molecular Properties

Compound Name	2,2-dimethylbutanedinitrile;2-methylbutanedinitrile
PubChem CID	158955611
Molecular Formula	C₁₁H₁₄N₄
Molecular Weight	202.26 g/mol
Exact Mass	202.12
IUPAC Name	2,2-dimethylbutanedinitrile;2-methylbutanedinitrile
SMILES	CC(C#N)CC#N.CC(C)(C#N)CC#N
InChI	InChI=1S/C6H8N2.C5H6N2/c1-6(2,5-8)3-4-7;1-5(4-7)2-3-6/h3H2,1-2H3;5H,2H2,1H3
InChIKey	JLYUOCFLSXQPHF-UHFFFAOYSA-N
XLogP	2.51
TPSA	95.16 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	2
Heavy Atoms	15
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	202.26
LogP ≤ 5	2.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylbutanedinitrile;2-methylbutanedinitrile?

The IUPAC name of 2,2-dimethylbutanedinitrile;2-methylbutanedinitrile (CID 158955611) is 2,2-dimethylbutanedinitrile;2-methylbutanedinitrile.

What is the SMILES notation for 2,2-dimethylbutanedinitrile;2-methylbutanedinitrile?

The canonical SMILES for 2,2-dimethylbutanedinitrile;2-methylbutanedinitrile is CC(C#N)CC#N.CC(C)(C#N)CC#N.

What is the InChIKey of 2,2-dimethylbutanedinitrile;2-methylbutanedinitrile?

The InChIKey is JLYUOCFLSXQPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2.C5H6N2/c1-6(2,5-8)3-4-7;1-5(4-7)2-3-6/h3H2,1-2H3;5H,2H2,1H3.

What are the key properties of 2,2-dimethylbutanedinitrile;2-methylbutanedinitrile?

2,2-dimethylbutanedinitrile;2-methylbutanedinitrile has a molecular weight of 202.26 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethylbutanedinitrile;2-methylbutanedinitrile is sourced from PubChem (CID 158955611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 158955611 — identifiers, structure, computed properties (public domain)

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