2,3-dimethyl-2,3-bis(2-methylpropyl)butanedinitrile

C14H24N2 — CID 15834352

IUPAC2,3-dimethyl-2,3-bis(2-methylpropyl)butanedinitrile
SMILESCC(C)CC(C)(C#N)C(C)(C#N)CC(C)C
InChIInChI=1S/C14H24N2/c1-11(2)7-13(5,9-15)14(6,10-16)8-12(3)4/h11-12H,7-8H2,1-6H3
InChIKeyZSQZMKLXZYSHCK-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.14
Rot. Bonds5

About 2,3-dimethyl-2,3-bis(2-methylpropyl)butanedinitrile

2,3-dimethyl-2,3-bis(2-methylpropyl)butanedinitrile (PubChem CID 15834352) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2,3-dimethyl-2,3-bis(2-methylpropyl)butanedinitrile.

Molecular Properties

Compound Name2,3-dimethyl-2,3-bis(2-methylpropyl)butanedinitrile
PubChem CID15834352
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name2,3-dimethyl-2,3-bis(2-methylpropyl)butanedinitrile
SMILESCC(C)CC(C)(C#N)C(C)(C#N)CC(C)C
InChIInChI=1S/C14H24N2/c1-11(2)7-13(5,9-15)14(6,10-16)8-12(3)4/h11-12H,7-8H2,1-6H3
InChIKeyZSQZMKLXZYSHCK-UHFFFAOYSA-N
XLogP4.14
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2,3-bis(2-methylpropyl)butanedinitrile?
The IUPAC name of 2,3-dimethyl-2,3-bis(2-methylpropyl)butanedinitrile (CID 15834352) is 2,3-dimethyl-2,3-bis(2-methylpropyl)butanedinitrile.
What is the SMILES notation for 2,3-dimethyl-2,3-bis(2-methylpropyl)butanedinitrile?
The canonical SMILES for 2,3-dimethyl-2,3-bis(2-methylpropyl)butanedinitrile is CC(C)CC(C)(C#N)C(C)(C#N)CC(C)C.
What is the InChIKey of 2,3-dimethyl-2,3-bis(2-methylpropyl)butanedinitrile?
The InChIKey is ZSQZMKLXZYSHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-11(2)7-13(5,9-15)14(6,10-16)8-12(3)4/h11-12H,7-8H2,1-6H3.
What are the key properties of 2,3-dimethyl-2,3-bis(2-methylpropyl)butanedinitrile?
2,3-dimethyl-2,3-bis(2-methylpropyl)butanedinitrile has a molecular weight of 220.36 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2,3-bis(2-methylpropyl)butanedinitrile is sourced from PubChem (CID 15834352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).