2-cyano-N-(2,2-dimethylcyclopentyl)-2-propylpentanamide

C16H28N2O — CID 79878649

IUPAC2-cyano-N-(2,2-dimethylcyclopentyl)-2-propylpentanamide
SMILESCCCC(C#N)(CCC)C(=O)NC1CCCC1(C)C
InChIInChI=1S/C16H28N2O/c1-5-9-16(12-17,10-6-2)14(19)18-13-8-7-11-15(13,3)4/h13H,5-11H2,1-4H3,(H,18,19)
InChIKeyGYZBQFWQTIYTQA-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.79
Rot. Bonds6

About 2-cyano-N-(2,2-dimethylcyclopentyl)-2-propylpentanamide

2-cyano-N-(2,2-dimethylcyclopentyl)-2-propylpentanamide (PubChem CID 79878649) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-cyano-N-(2,2-dimethylcyclopentyl)-2-propylpentanamide.

Molecular Properties

Compound Name2-cyano-N-(2,2-dimethylcyclopentyl)-2-propylpentanamide
PubChem CID79878649
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-cyano-N-(2,2-dimethylcyclopentyl)-2-propylpentanamide
SMILESCCCC(C#N)(CCC)C(=O)NC1CCCC1(C)C
InChIInChI=1S/C16H28N2O/c1-5-9-16(12-17,10-6-2)14(19)18-13-8-7-11-15(13,3)4/h13H,5-11H2,1-4H3,(H,18,19)
InChIKeyGYZBQFWQTIYTQA-UHFFFAOYSA-N
XLogP3.79
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2,2-dimethylcyclopentyl)-2-propylpentanamide?
The IUPAC name of 2-cyano-N-(2,2-dimethylcyclopentyl)-2-propylpentanamide (CID 79878649) is 2-cyano-N-(2,2-dimethylcyclopentyl)-2-propylpentanamide.
What is the SMILES notation for 2-cyano-N-(2,2-dimethylcyclopentyl)-2-propylpentanamide?
The canonical SMILES for 2-cyano-N-(2,2-dimethylcyclopentyl)-2-propylpentanamide is CCCC(C#N)(CCC)C(=O)NC1CCCC1(C)C.
What is the InChIKey of 2-cyano-N-(2,2-dimethylcyclopentyl)-2-propylpentanamide?
The InChIKey is GYZBQFWQTIYTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-5-9-16(12-17,10-6-2)14(19)18-13-8-7-11-15(13,3)4/h13H,5-11H2,1-4H3,(H,18,19).
What are the key properties of 2-cyano-N-(2,2-dimethylcyclopentyl)-2-propylpentanamide?
2-cyano-N-(2,2-dimethylcyclopentyl)-2-propylpentanamide has a molecular weight of 264.41 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2,2-dimethylcyclopentyl)-2-propylpentanamide is sourced from PubChem (CID 79878649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).