2-(2,3-dihydropyridin-4-yl)ethanamine

C7H12N2 — CID 138600749

IUPAC2-(2,3-dihydropyridin-4-yl)ethanamine
SMILESNCCC1=CC=NCC1
InChIInChI=1S/C7H12N2/c8-4-1-7-2-5-9-6-3-7/h2,5H,1,3-4,6,8H2
InChIKeyOSSQTFAPDRNRGB-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.74
Rot. Bonds2

About 2-(2,3-dihydropyridin-4-yl)ethanamine

2-(2,3-dihydropyridin-4-yl)ethanamine (PubChem CID 138600749) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 2-(2,3-dihydropyridin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2,3-dihydropyridin-4-yl)ethanamine
PubChem CID138600749
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name2-(2,3-dihydropyridin-4-yl)ethanamine
SMILESNCCC1=CC=NCC1
InChIInChI=1S/C7H12N2/c8-4-1-7-2-5-9-6-3-7/h2,5H,1,3-4,6,8H2
InChIKeyOSSQTFAPDRNRGB-UHFFFAOYSA-N
XLogP0.74
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydropyridin-4-yl)ethanamine?
The IUPAC name of 2-(2,3-dihydropyridin-4-yl)ethanamine (CID 138600749) is 2-(2,3-dihydropyridin-4-yl)ethanamine.
What is the SMILES notation for 2-(2,3-dihydropyridin-4-yl)ethanamine?
The canonical SMILES for 2-(2,3-dihydropyridin-4-yl)ethanamine is NCCC1=CC=NCC1.
What is the InChIKey of 2-(2,3-dihydropyridin-4-yl)ethanamine?
The InChIKey is OSSQTFAPDRNRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c8-4-1-7-2-5-9-6-3-7/h2,5H,1,3-4,6,8H2.
What are the key properties of 2-(2,3-dihydropyridin-4-yl)ethanamine?
2-(2,3-dihydropyridin-4-yl)ethanamine has a molecular weight of 124.19 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydropyridin-4-yl)ethanamine is sourced from PubChem (CID 138600749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).