5-(2-propan-2-ylphenyl)pentanenitrile

C14H19N — CID 141013076

IUPAC5-(2-propan-2-ylphenyl)pentanenitrile
SMILESCC(C)c1ccccc1CCCCC#N
InChIInChI=1S/C14H19N/c1-12(2)14-10-6-5-9-13(14)8-4-3-7-11-15/h5-6,9-10,12H,3-4,7-8H2,1-2H3
InChIKeyIDZNVBDCMVVAIY-UHFFFAOYSA-N
MW201.31 g/mol
LogP4.05
Rot. Bonds5

About 5-(2-propan-2-ylphenyl)pentanenitrile

5-(2-propan-2-ylphenyl)pentanenitrile (PubChem CID 141013076) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 5-(2-propan-2-ylphenyl)pentanenitrile.

Molecular Properties

Compound Name5-(2-propan-2-ylphenyl)pentanenitrile
PubChem CID141013076
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name5-(2-propan-2-ylphenyl)pentanenitrile
SMILESCC(C)c1ccccc1CCCCC#N
InChIInChI=1S/C14H19N/c1-12(2)14-10-6-5-9-13(14)8-4-3-7-11-15/h5-6,9-10,12H,3-4,7-8H2,1-2H3
InChIKeyIDZNVBDCMVVAIY-UHFFFAOYSA-N
XLogP4.05
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-propan-2-ylphenyl)pentanenitrile?
The IUPAC name of 5-(2-propan-2-ylphenyl)pentanenitrile (CID 141013076) is 5-(2-propan-2-ylphenyl)pentanenitrile.
What is the SMILES notation for 5-(2-propan-2-ylphenyl)pentanenitrile?
The canonical SMILES for 5-(2-propan-2-ylphenyl)pentanenitrile is CC(C)c1ccccc1CCCCC#N.
What is the InChIKey of 5-(2-propan-2-ylphenyl)pentanenitrile?
The InChIKey is IDZNVBDCMVVAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-12(2)14-10-6-5-9-13(14)8-4-3-7-11-15/h5-6,9-10,12H,3-4,7-8H2,1-2H3.
What are the key properties of 5-(2-propan-2-ylphenyl)pentanenitrile?
5-(2-propan-2-ylphenyl)pentanenitrile has a molecular weight of 201.31 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-propan-2-ylphenyl)pentanenitrile is sourced from PubChem (CID 141013076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).