2-ethyl-3-naphthalen-2-ylpyrrolidine

C16H19N — CID 62354972

IUPAC2-ethyl-3-naphthalen-2-ylpyrrolidine
SMILESCCC1NCCC1c1ccc2ccccc2c1
InChIInChI=1S/C16H19N/c1-2-16-15(9-10-17-16)14-8-7-12-5-3-4-6-13(12)11-14/h3-8,11,15-17H,2,9-10H2,1H3
InChIKeyDXEDUPLAKZJHIK-UHFFFAOYSA-N
MW225.34 g/mol
LogP3.70
Rot. Bonds2

About 2-ethyl-3-naphthalen-2-ylpyrrolidine

2-ethyl-3-naphthalen-2-ylpyrrolidine (PubChem CID 62354972) has the molecular formula C16H19N and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-ethyl-3-naphthalen-2-ylpyrrolidine.

Molecular Properties

Compound Name2-ethyl-3-naphthalen-2-ylpyrrolidine
PubChem CID62354972
Molecular FormulaC16H19N
Molecular Weight225.34 g/mol
Exact Mass225.15
IUPAC Name2-ethyl-3-naphthalen-2-ylpyrrolidine
SMILESCCC1NCCC1c1ccc2ccccc2c1
InChIInChI=1S/C16H19N/c1-2-16-15(9-10-17-16)14-8-7-12-5-3-4-6-13(12)11-14/h3-8,11,15-17H,2,9-10H2,1H3
InChIKeyDXEDUPLAKZJHIK-UHFFFAOYSA-N
XLogP3.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-naphthalen-2-ylpyrrolidine?
The IUPAC name of 2-ethyl-3-naphthalen-2-ylpyrrolidine (CID 62354972) is 2-ethyl-3-naphthalen-2-ylpyrrolidine.
What is the SMILES notation for 2-ethyl-3-naphthalen-2-ylpyrrolidine?
The canonical SMILES for 2-ethyl-3-naphthalen-2-ylpyrrolidine is CCC1NCCC1c1ccc2ccccc2c1.
What is the InChIKey of 2-ethyl-3-naphthalen-2-ylpyrrolidine?
The InChIKey is DXEDUPLAKZJHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N/c1-2-16-15(9-10-17-16)14-8-7-12-5-3-4-6-13(12)11-14/h3-8,11,15-17H,2,9-10H2,1H3.
What are the key properties of 2-ethyl-3-naphthalen-2-ylpyrrolidine?
2-ethyl-3-naphthalen-2-ylpyrrolidine has a molecular weight of 225.34 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-naphthalen-2-ylpyrrolidine is sourced from PubChem (CID 62354972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).