2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(furan-2-yl)ethanamine

C13H22N2O — CID 83227946

IUPAC2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(furan-2-yl)ethanamine
SMILESCCC1CCC(C)N1C(CN)c1ccco1
InChIInChI=1S/C13H22N2O/c1-3-11-7-6-10(2)15(11)12(9-14)13-5-4-8-16-13/h4-5,8,10-12H,3,6-7,9,14H2,1-2H3
InChIKeyXFAYXIXIUAQSOS-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.54
Rot. Bonds4

About 2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(furan-2-yl)ethanamine

2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(furan-2-yl)ethanamine (PubChem CID 83227946) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(furan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(furan-2-yl)ethanamine
PubChem CID83227946
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(furan-2-yl)ethanamine
SMILESCCC1CCC(C)N1C(CN)c1ccco1
InChIInChI=1S/C13H22N2O/c1-3-11-7-6-10(2)15(11)12(9-14)13-5-4-8-16-13/h4-5,8,10-12H,3,6-7,9,14H2,1-2H3
InChIKeyXFAYXIXIUAQSOS-UHFFFAOYSA-N
XLogP2.54
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(furan-2-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(furan-2-yl)ethanamine?
The IUPAC name of 2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(furan-2-yl)ethanamine (CID 83227946) is 2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(furan-2-yl)ethanamine.
What is the SMILES notation for 2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(furan-2-yl)ethanamine?
The canonical SMILES for 2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(furan-2-yl)ethanamine is CCC1CCC(C)N1C(CN)c1ccco1.
What is the InChIKey of 2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(furan-2-yl)ethanamine?
The InChIKey is XFAYXIXIUAQSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-11-7-6-10(2)15(11)12(9-14)13-5-4-8-16-13/h4-5,8,10-12H,3,6-7,9,14H2,1-2H3.
What are the key properties of 2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(furan-2-yl)ethanamine?
2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(furan-2-yl)ethanamine has a molecular weight of 222.33 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(furan-2-yl)ethanamine is sourced from PubChem (CID 83227946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).