2-(2,3-dihydropyridin-5-yl)ethanamine

C7H12N2 — CID 143109838

IUPAC2-(2,3-dihydropyridin-5-yl)ethanamine
SMILESNCCC1=CCCN=C1
InChIInChI=1S/C7H12N2/c8-4-3-7-2-1-5-9-6-7/h2,6H,1,3-5,8H2
InChIKeyQACGSIWUBUEPRE-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.74
Rot. Bonds2

About 2-(2,3-dihydropyridin-5-yl)ethanamine

2-(2,3-dihydropyridin-5-yl)ethanamine (PubChem CID 143109838) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 2-(2,3-dihydropyridin-5-yl)ethanamine.

Molecular Properties

Compound Name2-(2,3-dihydropyridin-5-yl)ethanamine
PubChem CID143109838
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name2-(2,3-dihydropyridin-5-yl)ethanamine
SMILESNCCC1=CCCN=C1
InChIInChI=1S/C7H12N2/c8-4-3-7-2-1-5-9-6-7/h2,6H,1,3-5,8H2
InChIKeyQACGSIWUBUEPRE-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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Related Compounds

4,5-Dimethyl-2,3-dihydropyridin-1-ium
CID 134851930
(5E)-5-[(5E)-5-(3,4-dihydro-2H-pyridin-1-ium-5-ylidene)pentylidene]-3,4-dihydro-2H-pyridin-1-ium
CID 134855943
3H-pyridin-1-ium-5-ylmethanamine
CID 57056736
5-Methyl-2,3-dihydropyridin-2-amine
CID 89227049
(3-Methyl-2,3-dihydropyridin-5-yl)methanamine
CID 89272014
4-methyl-2H-pyridin-3-imine
CID 89382802
2,3-Dihydropyridin-4-ylmethanamine
CID 90137212
3-Methanimidoylpent-3-en-1-amine
CID 90714254
2-(2H-pyrrol-4-yl)ethanamine
CID 117624417
2,3-Dihydropyridin-5-ylmethanamine
CID 123776604
4-Methyl-2,3-dihydropyridin-2-amine
CID 124005381
3-Methanimidoyl-2,5-dihydropyridin-2-amine
CID 124013708

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydropyridin-5-yl)ethanamine?
The IUPAC name of 2-(2,3-dihydropyridin-5-yl)ethanamine (CID 143109838) is 2-(2,3-dihydropyridin-5-yl)ethanamine.
What is the SMILES notation for 2-(2,3-dihydropyridin-5-yl)ethanamine?
The canonical SMILES for 2-(2,3-dihydropyridin-5-yl)ethanamine is NCCC1=CCCN=C1.
What is the InChIKey of 2-(2,3-dihydropyridin-5-yl)ethanamine?
The InChIKey is QACGSIWUBUEPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c8-4-3-7-2-1-5-9-6-7/h2,6H,1,3-5,8H2.
What are the key properties of 2-(2,3-dihydropyridin-5-yl)ethanamine?
2-(2,3-dihydropyridin-5-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-5-yl)ethanamine is sourced from PubChem (CID 143109838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).