5-methoxy-N-prop-1-enoxy-1,2,3,6-tetrahydropyridin-3-amine

C9H16N2O2 — CID 173102811

IUPAC5-methoxy-N-prop-1-enoxy-1,2,3,6-tetrahydropyridin-3-amine
SMILESCC=CONC1C=C(OC)CNC1
InChIInChI=1S/C9H16N2O2/c1-3-4-13-11-8-5-9(12-2)7-10-6-8/h3-5,8,10-11H,6-7H2,1-2H3
InChIKeyQLOGZBGARVMJGA-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.54
Rot. Bonds4

About 5-methoxy-N-prop-1-enoxy-1,2,3,6-tetrahydropyridin-3-amine

5-methoxy-N-prop-1-enoxy-1,2,3,6-tetrahydropyridin-3-amine (PubChem CID 173102811) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 5-methoxy-N-prop-1-enoxy-1,2,3,6-tetrahydropyridin-3-amine.

Molecular Properties

Compound Name5-methoxy-N-prop-1-enoxy-1,2,3,6-tetrahydropyridin-3-amine
PubChem CID173102811
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name5-methoxy-N-prop-1-enoxy-1,2,3,6-tetrahydropyridin-3-amine
SMILESCC=CONC1C=C(OC)CNC1
InChIInChI=1S/C9H16N2O2/c1-3-4-13-11-8-5-9(12-2)7-10-6-8/h3-5,8,10-11H,6-7H2,1-2H3
InChIKeyQLOGZBGARVMJGA-UHFFFAOYSA-N
XLogP0.54
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-prop-1-enoxy-1,2,3,6-tetrahydropyridin-3-amine?
The IUPAC name of 5-methoxy-N-prop-1-enoxy-1,2,3,6-tetrahydropyridin-3-amine (CID 173102811) is 5-methoxy-N-prop-1-enoxy-1,2,3,6-tetrahydropyridin-3-amine.
What is the SMILES notation for 5-methoxy-N-prop-1-enoxy-1,2,3,6-tetrahydropyridin-3-amine?
The canonical SMILES for 5-methoxy-N-prop-1-enoxy-1,2,3,6-tetrahydropyridin-3-amine is CC=CONC1C=C(OC)CNC1.
What is the InChIKey of 5-methoxy-N-prop-1-enoxy-1,2,3,6-tetrahydropyridin-3-amine?
The InChIKey is QLOGZBGARVMJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-3-4-13-11-8-5-9(12-2)7-10-6-8/h3-5,8,10-11H,6-7H2,1-2H3.
What are the key properties of 5-methoxy-N-prop-1-enoxy-1,2,3,6-tetrahydropyridin-3-amine?
5-methoxy-N-prop-1-enoxy-1,2,3,6-tetrahydropyridin-3-amine has a molecular weight of 184.24 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-prop-1-enoxy-1,2,3,6-tetrahydropyridin-3-amine is sourced from PubChem (CID 173102811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).