2-tert-butyl-4-(2,2-dimethylpropyl)pentanedinitrile

C14H24N2 — CID 89382485

IUPAC2-tert-butyl-4-(2,2-dimethylpropyl)pentanedinitrile
SMILESCC(C)(C)CC(C#N)CC(C#N)C(C)(C)C
InChIInChI=1S/C14H24N2/c1-13(2,3)8-11(9-15)7-12(10-16)14(4,5)6/h11-12H,7-8H2,1-6H3
InChIKeyJHJZCEQEFAXUCB-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.14
Rot. Bonds3

About 2-tert-butyl-4-(2,2-dimethylpropyl)pentanedinitrile

2-tert-butyl-4-(2,2-dimethylpropyl)pentanedinitrile (PubChem CID 89382485) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-tert-butyl-4-(2,2-dimethylpropyl)pentanedinitrile.

Molecular Properties

Compound Name2-tert-butyl-4-(2,2-dimethylpropyl)pentanedinitrile
PubChem CID89382485
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name2-tert-butyl-4-(2,2-dimethylpropyl)pentanedinitrile
SMILESCC(C)(C)CC(C#N)CC(C#N)C(C)(C)C
InChIInChI=1S/C14H24N2/c1-13(2,3)8-11(9-15)7-12(10-16)14(4,5)6/h11-12H,7-8H2,1-6H3
InChIKeyJHJZCEQEFAXUCB-UHFFFAOYSA-N
XLogP4.14
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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-tert-butyl-4-(2,2-dimethylpropyl)pentanedinitrile?
The IUPAC name of 2-tert-butyl-4-(2,2-dimethylpropyl)pentanedinitrile (CID 89382485) is 2-tert-butyl-4-(2,2-dimethylpropyl)pentanedinitrile.
What is the SMILES notation for 2-tert-butyl-4-(2,2-dimethylpropyl)pentanedinitrile?
The canonical SMILES for 2-tert-butyl-4-(2,2-dimethylpropyl)pentanedinitrile is CC(C)(C)CC(C#N)CC(C#N)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-4-(2,2-dimethylpropyl)pentanedinitrile?
The InChIKey is JHJZCEQEFAXUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-13(2,3)8-11(9-15)7-12(10-16)14(4,5)6/h11-12H,7-8H2,1-6H3.
What are the key properties of 2-tert-butyl-4-(2,2-dimethylpropyl)pentanedinitrile?
2-tert-butyl-4-(2,2-dimethylpropyl)pentanedinitrile has a molecular weight of 220.36 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(2,2-dimethylpropyl)pentanedinitrile is sourced from PubChem (CID 89382485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).