3-[2-(2-naphthalen-1-ylethoxy)ethoxy]propanenitrile

C17H19NO2 — CID 69073430

IUPAC3-[2-(2-naphthalen-1-ylethoxy)ethoxy]propanenitrile
SMILESN#CCCOCCOCCc1cccc2ccccc12
InChIInChI=1S/C17H19NO2/c18-10-4-11-19-13-14-20-12-9-16-7-3-6-15-5-1-2-8-17(15)16/h1-3,5-8H,4,9,11-14H2
InChIKeyGBVKAQRIXJYEJP-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.33
Rot. Bonds8

About 3-[2-(2-naphthalen-1-ylethoxy)ethoxy]propanenitrile

3-[2-(2-naphthalen-1-ylethoxy)ethoxy]propanenitrile (PubChem CID 69073430) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-[2-(2-naphthalen-1-ylethoxy)ethoxy]propanenitrile.

Molecular Properties

Compound Name3-[2-(2-naphthalen-1-ylethoxy)ethoxy]propanenitrile
PubChem CID69073430
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name3-[2-(2-naphthalen-1-ylethoxy)ethoxy]propanenitrile
SMILESN#CCCOCCOCCc1cccc2ccccc12
InChIInChI=1S/C17H19NO2/c18-10-4-11-19-13-14-20-12-9-16-7-3-6-15-5-1-2-8-17(15)16/h1-3,5-8H,4,9,11-14H2
InChIKeyGBVKAQRIXJYEJP-UHFFFAOYSA-N
XLogP3.33
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-[2-(2-naphthalen-1-ylethoxy)ethoxy]propanenitrile?
The IUPAC name of 3-[2-(2-naphthalen-1-ylethoxy)ethoxy]propanenitrile (CID 69073430) is 3-[2-(2-naphthalen-1-ylethoxy)ethoxy]propanenitrile.
What is the SMILES notation for 3-[2-(2-naphthalen-1-ylethoxy)ethoxy]propanenitrile?
The canonical SMILES for 3-[2-(2-naphthalen-1-ylethoxy)ethoxy]propanenitrile is N#CCCOCCOCCc1cccc2ccccc12.
What is the InChIKey of 3-[2-(2-naphthalen-1-ylethoxy)ethoxy]propanenitrile?
The InChIKey is GBVKAQRIXJYEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c18-10-4-11-19-13-14-20-12-9-16-7-3-6-15-5-1-2-8-17(15)16/h1-3,5-8H,4,9,11-14H2.
What are the key properties of 3-[2-(2-naphthalen-1-ylethoxy)ethoxy]propanenitrile?
3-[2-(2-naphthalen-1-ylethoxy)ethoxy]propanenitrile has a molecular weight of 269.34 g/mol, XLogP of 3.33, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-naphthalen-1-ylethoxy)ethoxy]propanenitrile is sourced from PubChem (CID 69073430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).