2-ethoxy-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine

C13H26N2O — CID 79568585

IUPAC2-ethoxy-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine
SMILESCCOCC(N)C1(N2CCCC2)CCCC1
InChIInChI=1S/C13H26N2O/c1-2-16-11-12(14)13(7-3-4-8-13)15-9-5-6-10-15/h12H,2-11,14H2,1H3
InChIKeyHTCIQVFAGFUMIT-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.76
Rot. Bonds5

About 2-ethoxy-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine

2-ethoxy-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine (PubChem CID 79568585) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-ethoxy-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine.

Molecular Properties

Compound Name2-ethoxy-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine
PubChem CID79568585
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-ethoxy-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine
SMILESCCOCC(N)C1(N2CCCC2)CCCC1
InChIInChI=1S/C13H26N2O/c1-2-16-11-12(14)13(7-3-4-8-13)15-9-5-6-10-15/h12H,2-11,14H2,1H3
InChIKeyHTCIQVFAGFUMIT-UHFFFAOYSA-N
XLogP1.76
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine?
The IUPAC name of 2-ethoxy-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine (CID 79568585) is 2-ethoxy-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine.
What is the SMILES notation for 2-ethoxy-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine?
The canonical SMILES for 2-ethoxy-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine is CCOCC(N)C1(N2CCCC2)CCCC1.
What is the InChIKey of 2-ethoxy-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine?
The InChIKey is HTCIQVFAGFUMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-2-16-11-12(14)13(7-3-4-8-13)15-9-5-6-10-15/h12H,2-11,14H2,1H3.
What are the key properties of 2-ethoxy-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine?
2-ethoxy-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine has a molecular weight of 226.36 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine is sourced from PubChem (CID 79568585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).