6-methoxy-1,2,3,6-tetrahydropyridin-3-amine

C6H12N2O — CID 123663821

IUPAC6-methoxy-1,2,3,6-tetrahydropyridin-3-amine
SMILESCOC1C=CC(N)CN1
InChIInChI=1S/C6H12N2O/c1-9-6-3-2-5(7)4-8-6/h2-3,5-6,8H,4,7H2,1H3
InChIKeyDJSJTESRHPGVDL-UHFFFAOYSA-N
MW128.17 g/mol
LogP-0.55
Rot. Bonds1

About 6-methoxy-1,2,3,6-tetrahydropyridin-3-amine

6-methoxy-1,2,3,6-tetrahydropyridin-3-amine (PubChem CID 123663821) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 6-methoxy-1,2,3,6-tetrahydropyridin-3-amine.

Molecular Properties

Compound Name6-methoxy-1,2,3,6-tetrahydropyridin-3-amine
PubChem CID123663821
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name6-methoxy-1,2,3,6-tetrahydropyridin-3-amine
SMILESCOC1C=CC(N)CN1
InChIInChI=1S/C6H12N2O/c1-9-6-3-2-5(7)4-8-6/h2-3,5-6,8H,4,7H2,1H3
InChIKeyDJSJTESRHPGVDL-UHFFFAOYSA-N
XLogP-0.55
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-Methoxy-1,2,3,6-tetrahydropyridine
CID 70426649
6-Methoxy-3-methyl-1,2,3,6-tetrahydropyridine
CID 89642580
6-methoxy-3,3-dimethyl-2,6-dihydro-1H-pyridine
CID 143591895
2,6-Dimethoxy-1,2,3,6-tetrahydropyridine
CID 160599293
5-methoxy-N-propan-2-ylpent-3-en-1-amine
CID 79592304
5-(Ethoxymethyl)-1,2,3,6-tetrahydropyridin-3-amine
CID 165451437
5-(Methoxymethyl)-1,2,3,6-tetrahydropyridin-3-amine
CID 165748815

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1,2,3,6-tetrahydropyridin-3-amine?
The IUPAC name of 6-methoxy-1,2,3,6-tetrahydropyridin-3-amine (CID 123663821) is 6-methoxy-1,2,3,6-tetrahydropyridin-3-amine.
What is the SMILES notation for 6-methoxy-1,2,3,6-tetrahydropyridin-3-amine?
The canonical SMILES for 6-methoxy-1,2,3,6-tetrahydropyridin-3-amine is COC1C=CC(N)CN1.
What is the InChIKey of 6-methoxy-1,2,3,6-tetrahydropyridin-3-amine?
The InChIKey is DJSJTESRHPGVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-9-6-3-2-5(7)4-8-6/h2-3,5-6,8H,4,7H2,1H3.
What are the key properties of 6-methoxy-1,2,3,6-tetrahydropyridin-3-amine?
6-methoxy-1,2,3,6-tetrahydropyridin-3-amine has a molecular weight of 128.17 g/mol, XLogP of -0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1,2,3,6-tetrahydropyridin-3-amine is sourced from PubChem (CID 123663821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).