2-(1,2-dihydropyridin-6-yl)ethanamine

C7H12N2 — CID 6398063

IUPAC2-(1,2-dihydropyridin-6-yl)ethanamine
SMILESNCCC1=CC=CCN1
InChIInChI=1S/C7H12N2/c8-5-4-7-3-1-2-6-9-7/h1-3,9H,4-6,8H2
InChIKeyJXSMWJAMUKJSRX-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.38
Rot. Bonds2

About 2-(1,2-dihydropyridin-6-yl)ethanamine

2-(1,2-dihydropyridin-6-yl)ethanamine (PubChem CID 6398063) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 2-(1,2-dihydropyridin-6-yl)ethanamine.

Molecular Properties

Compound Name2-(1,2-dihydropyridin-6-yl)ethanamine
PubChem CID6398063
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name2-(1,2-dihydropyridin-6-yl)ethanamine
SMILESNCCC1=CC=CCN1
InChIInChI=1S/C7H12N2/c8-5-4-7-3-1-2-6-9-7/h1-3,9H,4-6,8H2
InChIKeyJXSMWJAMUKJSRX-UHFFFAOYSA-N
XLogP0.38
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydropyridin-6-yl)ethanamine?
The IUPAC name of 2-(1,2-dihydropyridin-6-yl)ethanamine (CID 6398063) is 2-(1,2-dihydropyridin-6-yl)ethanamine.
What is the SMILES notation for 2-(1,2-dihydropyridin-6-yl)ethanamine?
The canonical SMILES for 2-(1,2-dihydropyridin-6-yl)ethanamine is NCCC1=CC=CCN1.
What is the InChIKey of 2-(1,2-dihydropyridin-6-yl)ethanamine?
The InChIKey is JXSMWJAMUKJSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c8-5-4-7-3-1-2-6-9-7/h1-3,9H,4-6,8H2.
What are the key properties of 2-(1,2-dihydropyridin-6-yl)ethanamine?
2-(1,2-dihydropyridin-6-yl)ethanamine has a molecular weight of 124.19 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydropyridin-6-yl)ethanamine is sourced from PubChem (CID 6398063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).