2-(1,2-dihydropyridin-2-ylmethoxy)ethanamine

C8H14N2O — CID 23320843

IUPAC2-(1,2-dihydropyridin-2-ylmethoxy)ethanamine
SMILESNCCOCC1C=CC=CN1
InChIInChI=1S/C8H14N2O/c9-4-6-11-7-8-3-1-2-5-10-8/h1-3,5,8,10H,4,6-7,9H2
InChIKeyXPCZIVDEJJDQJJ-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.00
Rot. Bonds4

About 2-(1,2-dihydropyridin-2-ylmethoxy)ethanamine

2-(1,2-dihydropyridin-2-ylmethoxy)ethanamine (PubChem CID 23320843) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-(1,2-dihydropyridin-2-ylmethoxy)ethanamine.

Molecular Properties

Compound Name2-(1,2-dihydropyridin-2-ylmethoxy)ethanamine
PubChem CID23320843
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2-(1,2-dihydropyridin-2-ylmethoxy)ethanamine
SMILESNCCOCC1C=CC=CN1
InChIInChI=1S/C8H14N2O/c9-4-6-11-7-8-3-1-2-5-10-8/h1-3,5,8,10H,4,6-7,9H2
InChIKeyXPCZIVDEJJDQJJ-UHFFFAOYSA-N
XLogP0.00
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydropyridin-2-ylmethoxy)ethanamine?
The IUPAC name of 2-(1,2-dihydropyridin-2-ylmethoxy)ethanamine (CID 23320843) is 2-(1,2-dihydropyridin-2-ylmethoxy)ethanamine.
What is the SMILES notation for 2-(1,2-dihydropyridin-2-ylmethoxy)ethanamine?
The canonical SMILES for 2-(1,2-dihydropyridin-2-ylmethoxy)ethanamine is NCCOCC1C=CC=CN1.
What is the InChIKey of 2-(1,2-dihydropyridin-2-ylmethoxy)ethanamine?
The InChIKey is XPCZIVDEJJDQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c9-4-6-11-7-8-3-1-2-5-10-8/h1-3,5,8,10H,4,6-7,9H2.
What are the key properties of 2-(1,2-dihydropyridin-2-ylmethoxy)ethanamine?
2-(1,2-dihydropyridin-2-ylmethoxy)ethanamine has a molecular weight of 154.21 g/mol, XLogP of 0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydropyridin-2-ylmethoxy)ethanamine is sourced from PubChem (CID 23320843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).