5-(ethoxymethyl)-1,2,3,6-tetrahydropyridin-3-amine

C8H16N2O — CID 165451437

IUPAC5-(ethoxymethyl)-1,2,3,6-tetrahydropyridin-3-amine
SMILESCCOCC1=CC(N)CNC1
InChIInChI=1S/C8H16N2O/c1-2-11-6-7-3-8(9)5-10-4-7/h3,8,10H,2,4-6,9H2,1H3
InChIKeyVPVPHDGDYNXYFL-UHFFFAOYSA-N
MW156.23 g/mol
LogP-0.12
Rot. Bonds3

About 5-(ethoxymethyl)-1,2,3,6-tetrahydropyridin-3-amine

5-(ethoxymethyl)-1,2,3,6-tetrahydropyridin-3-amine (PubChem CID 165451437) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 5-(ethoxymethyl)-1,2,3,6-tetrahydropyridin-3-amine.

Molecular Properties

Compound Name5-(ethoxymethyl)-1,2,3,6-tetrahydropyridin-3-amine
PubChem CID165451437
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name5-(ethoxymethyl)-1,2,3,6-tetrahydropyridin-3-amine
SMILESCCOCC1=CC(N)CNC1
InChIInChI=1S/C8H16N2O/c1-2-11-6-7-3-8(9)5-10-4-7/h3,8,10H,2,4-6,9H2,1H3
InChIKeyVPVPHDGDYNXYFL-UHFFFAOYSA-N
XLogP-0.12
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(ethoxymethyl)-1,2,3,6-tetrahydropyridin-3-amine?
The IUPAC name of 5-(ethoxymethyl)-1,2,3,6-tetrahydropyridin-3-amine (CID 165451437) is 5-(ethoxymethyl)-1,2,3,6-tetrahydropyridin-3-amine.
What is the SMILES notation for 5-(ethoxymethyl)-1,2,3,6-tetrahydropyridin-3-amine?
The canonical SMILES for 5-(ethoxymethyl)-1,2,3,6-tetrahydropyridin-3-amine is CCOCC1=CC(N)CNC1.
What is the InChIKey of 5-(ethoxymethyl)-1,2,3,6-tetrahydropyridin-3-amine?
The InChIKey is VPVPHDGDYNXYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-2-11-6-7-3-8(9)5-10-4-7/h3,8,10H,2,4-6,9H2,1H3.
What are the key properties of 5-(ethoxymethyl)-1,2,3,6-tetrahydropyridin-3-amine?
5-(ethoxymethyl)-1,2,3,6-tetrahydropyridin-3-amine has a molecular weight of 156.23 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethoxymethyl)-1,2,3,6-tetrahydropyridin-3-amine is sourced from PubChem (CID 165451437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).