2-(1-quinoxalin-2-ylpyrrolidin-3-yl)ethanamine

C14H18N4 — CID 114802420

IUPAC2-(1-quinoxalin-2-ylpyrrolidin-3-yl)ethanamine
SMILESNCCC1CCN(c2cnc3ccccc3n2)C1
InChIInChI=1S/C14H18N4/c15-7-5-11-6-8-18(10-11)14-9-16-12-3-1-2-4-13(12)17-14/h1-4,9,11H,5-8,10,15H2
InChIKeyVDIQTTUPIWJVKF-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.80
Rot. Bonds3

About 2-(1-quinoxalin-2-ylpyrrolidin-3-yl)ethanamine

2-(1-quinoxalin-2-ylpyrrolidin-3-yl)ethanamine (PubChem CID 114802420) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 2-(1-quinoxalin-2-ylpyrrolidin-3-yl)ethanamine.

Molecular Properties

Compound Name2-(1-quinoxalin-2-ylpyrrolidin-3-yl)ethanamine
PubChem CID114802420
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name2-(1-quinoxalin-2-ylpyrrolidin-3-yl)ethanamine
SMILESNCCC1CCN(c2cnc3ccccc3n2)C1
InChIInChI=1S/C14H18N4/c15-7-5-11-6-8-18(10-11)14-9-16-12-3-1-2-4-13(12)17-14/h1-4,9,11H,5-8,10,15H2
InChIKeyVDIQTTUPIWJVKF-UHFFFAOYSA-N
XLogP1.80
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-quinoxalin-2-ylpyrrolidin-3-yl)ethanamine?
The IUPAC name of 2-(1-quinoxalin-2-ylpyrrolidin-3-yl)ethanamine (CID 114802420) is 2-(1-quinoxalin-2-ylpyrrolidin-3-yl)ethanamine.
What is the SMILES notation for 2-(1-quinoxalin-2-ylpyrrolidin-3-yl)ethanamine?
The canonical SMILES for 2-(1-quinoxalin-2-ylpyrrolidin-3-yl)ethanamine is NCCC1CCN(c2cnc3ccccc3n2)C1.
What is the InChIKey of 2-(1-quinoxalin-2-ylpyrrolidin-3-yl)ethanamine?
The InChIKey is VDIQTTUPIWJVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c15-7-5-11-6-8-18(10-11)14-9-16-12-3-1-2-4-13(12)17-14/h1-4,9,11H,5-8,10,15H2.
What are the key properties of 2-(1-quinoxalin-2-ylpyrrolidin-3-yl)ethanamine?
2-(1-quinoxalin-2-ylpyrrolidin-3-yl)ethanamine has a molecular weight of 242.33 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-quinoxalin-2-ylpyrrolidin-3-yl)ethanamine is sourced from PubChem (CID 114802420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).