3-[2-(2-cyclopentylethoxy)propyl]-1-(2-methoxyethyl)pyrrolidine

C17H33NO2 — CID 155008020

IUPAC3-[2-(2-cyclopentylethoxy)propyl]-1-(2-methoxyethyl)pyrrolidine
SMILESCOCCN1CCC(CC(C)OCCC2CCCC2)C1
InChIInChI=1S/C17H33NO2/c1-15(20-11-8-16-5-3-4-6-16)13-17-7-9-18(14-17)10-12-19-2/h15-17H,3-14H2,1-2H3
InChIKeyCQVIXUPTVFFJQR-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.33
Rot. Bonds9

About 3-[2-(2-cyclopentylethoxy)propyl]-1-(2-methoxyethyl)pyrrolidine

3-[2-(2-cyclopentylethoxy)propyl]-1-(2-methoxyethyl)pyrrolidine (PubChem CID 155008020) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 3-[2-(2-cyclopentylethoxy)propyl]-1-(2-methoxyethyl)pyrrolidine.

Molecular Properties

Compound Name3-[2-(2-cyclopentylethoxy)propyl]-1-(2-methoxyethyl)pyrrolidine
PubChem CID155008020
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name3-[2-(2-cyclopentylethoxy)propyl]-1-(2-methoxyethyl)pyrrolidine
SMILESCOCCN1CCC(CC(C)OCCC2CCCC2)C1
InChIInChI=1S/C17H33NO2/c1-15(20-11-8-16-5-3-4-6-16)13-17-7-9-18(14-17)10-12-19-2/h15-17H,3-14H2,1-2H3
InChIKeyCQVIXUPTVFFJQR-UHFFFAOYSA-N
XLogP3.33
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-cyclopentylethoxy)propyl]-1-(2-methoxyethyl)pyrrolidine?
The IUPAC name of 3-[2-(2-cyclopentylethoxy)propyl]-1-(2-methoxyethyl)pyrrolidine (CID 155008020) is 3-[2-(2-cyclopentylethoxy)propyl]-1-(2-methoxyethyl)pyrrolidine.
What is the SMILES notation for 3-[2-(2-cyclopentylethoxy)propyl]-1-(2-methoxyethyl)pyrrolidine?
The canonical SMILES for 3-[2-(2-cyclopentylethoxy)propyl]-1-(2-methoxyethyl)pyrrolidine is COCCN1CCC(CC(C)OCCC2CCCC2)C1.
What is the InChIKey of 3-[2-(2-cyclopentylethoxy)propyl]-1-(2-methoxyethyl)pyrrolidine?
The InChIKey is CQVIXUPTVFFJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-15(20-11-8-16-5-3-4-6-16)13-17-7-9-18(14-17)10-12-19-2/h15-17H,3-14H2,1-2H3.
What are the key properties of 3-[2-(2-cyclopentylethoxy)propyl]-1-(2-methoxyethyl)pyrrolidine?
3-[2-(2-cyclopentylethoxy)propyl]-1-(2-methoxyethyl)pyrrolidine has a molecular weight of 283.46 g/mol, XLogP of 3.33, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-cyclopentylethoxy)propyl]-1-(2-methoxyethyl)pyrrolidine is sourced from PubChem (CID 155008020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).