6-methoxy-1,2,4a,8a-tetrahydroquinolin-8-amine

C10H14N2O — CID 89264896

IUPAC6-methoxy-1,2,4a,8a-tetrahydroquinolin-8-amine
SMILESCOC1=CC2C=CCNC2C(N)=C1
InChIInChI=1S/C10H14N2O/c1-13-8-5-7-3-2-4-12-10(7)9(11)6-8/h2-3,5-7,10,12H,4,11H2,1H3
InChIKeyHRWKQZMTEGBZHP-UHFFFAOYSA-N
MW178.23 g/mol
LogP0.52
Rot. Bonds1

About 6-methoxy-1,2,4a,8a-tetrahydroquinolin-8-amine

6-methoxy-1,2,4a,8a-tetrahydroquinolin-8-amine (PubChem CID 89264896) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 6-methoxy-1,2,4a,8a-tetrahydroquinolin-8-amine.

Molecular Properties

Compound Name6-methoxy-1,2,4a,8a-tetrahydroquinolin-8-amine
PubChem CID89264896
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name6-methoxy-1,2,4a,8a-tetrahydroquinolin-8-amine
SMILESCOC1=CC2C=CCNC2C(N)=C1
InChIInChI=1S/C10H14N2O/c1-13-8-5-7-3-2-4-12-10(7)9(11)6-8/h2-3,5-7,10,12H,4,11H2,1H3
InChIKeyHRWKQZMTEGBZHP-UHFFFAOYSA-N
XLogP0.52
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 50.52
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 6-methoxy-1,2,4a,8a-tetrahydroquinolin-8-amine?
The IUPAC name of 6-methoxy-1,2,4a,8a-tetrahydroquinolin-8-amine (CID 89264896) is 6-methoxy-1,2,4a,8a-tetrahydroquinolin-8-amine.
What is the SMILES notation for 6-methoxy-1,2,4a,8a-tetrahydroquinolin-8-amine?
The canonical SMILES for 6-methoxy-1,2,4a,8a-tetrahydroquinolin-8-amine is COC1=CC2C=CCNC2C(N)=C1.
What is the InChIKey of 6-methoxy-1,2,4a,8a-tetrahydroquinolin-8-amine?
The InChIKey is HRWKQZMTEGBZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-13-8-5-7-3-2-4-12-10(7)9(11)6-8/h2-3,5-7,10,12H,4,11H2,1H3.
What are the key properties of 6-methoxy-1,2,4a,8a-tetrahydroquinolin-8-amine?
6-methoxy-1,2,4a,8a-tetrahydroquinolin-8-amine has a molecular weight of 178.23 g/mol, XLogP of 0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1,2,4a,8a-tetrahydroquinolin-8-amine is sourced from PubChem (CID 89264896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).