2-(2,3-dihydropyridin-3-yl)-N-methylethanamine

C8H14N2 — CID 123156694

IUPAC2-(2,3-dihydropyridin-3-yl)-N-methylethanamine
SMILESCNCCC1C=CC=NC1
InChIInChI=1S/C8H14N2/c1-9-6-4-8-3-2-5-10-7-8/h2-3,5,8-9H,4,6-7H2,1H3
InChIKeyMJKKIYQENUSUAS-UHFFFAOYSA-N
MW138.21 g/mol
LogP0.85
Rot. Bonds3

About 2-(2,3-dihydropyridin-3-yl)-N-methylethanamine

2-(2,3-dihydropyridin-3-yl)-N-methylethanamine (PubChem CID 123156694) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-(2,3-dihydropyridin-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2,3-dihydropyridin-3-yl)-N-methylethanamine
PubChem CID123156694
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name2-(2,3-dihydropyridin-3-yl)-N-methylethanamine
SMILESCNCCC1C=CC=NC1
InChIInChI=1S/C8H14N2/c1-9-6-4-8-3-2-5-10-7-8/h2-3,5,8-9H,4,6-7H2,1H3
InChIKeyMJKKIYQENUSUAS-UHFFFAOYSA-N
XLogP0.85
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 50.85
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-3-yl)-N-methylethanamine?
The IUPAC name of 2-(2,3-dihydropyridin-3-yl)-N-methylethanamine (CID 123156694) is 2-(2,3-dihydropyridin-3-yl)-N-methylethanamine.
What is the SMILES notation for 2-(2,3-dihydropyridin-3-yl)-N-methylethanamine?
The canonical SMILES for 2-(2,3-dihydropyridin-3-yl)-N-methylethanamine is CNCCC1C=CC=NC1.
What is the InChIKey of 2-(2,3-dihydropyridin-3-yl)-N-methylethanamine?
The InChIKey is MJKKIYQENUSUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-9-6-4-8-3-2-5-10-7-8/h2-3,5,8-9H,4,6-7H2,1H3.
What are the key properties of 2-(2,3-dihydropyridin-3-yl)-N-methylethanamine?
2-(2,3-dihydropyridin-3-yl)-N-methylethanamine has a molecular weight of 138.21 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydropyridin-3-yl)-N-methylethanamine is sourced from PubChem (CID 123156694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).