6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-propoxypyridin-3-amine

C17H27N3O — CID 43628006

IUPAC6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-propoxypyridin-3-amine
SMILESCCCOc1nc(N2CCCC3CCCCC32)ccc1N
InChIInChI=1S/C17H27N3O/c1-2-12-21-17-14(18)9-10-16(19-17)20-11-5-7-13-6-3-4-8-15(13)20/h9-10,13,15H,2-8,11-12,18H2,1H3
InChIKeyMBBYNWZNCAHPED-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.61
Rot. Bonds4

About 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-propoxypyridin-3-amine

6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-propoxypyridin-3-amine (PubChem CID 43628006) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-propoxypyridin-3-amine.

Molecular Properties

Compound Name6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-propoxypyridin-3-amine
PubChem CID43628006
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-propoxypyridin-3-amine
SMILESCCCOc1nc(N2CCCC3CCCCC32)ccc1N
InChIInChI=1S/C17H27N3O/c1-2-12-21-17-14(18)9-10-16(19-17)20-11-5-7-13-6-3-4-8-15(13)20/h9-10,13,15H,2-8,11-12,18H2,1H3
InChIKeyMBBYNWZNCAHPED-UHFFFAOYSA-N
XLogP3.61
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-propoxypyridin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-propoxypyridin-3-amine?
The IUPAC name of 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-propoxypyridin-3-amine (CID 43628006) is 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-propoxypyridin-3-amine.
What is the SMILES notation for 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-propoxypyridin-3-amine?
The canonical SMILES for 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-propoxypyridin-3-amine is CCCOc1nc(N2CCCC3CCCCC32)ccc1N.
What is the InChIKey of 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-propoxypyridin-3-amine?
The InChIKey is MBBYNWZNCAHPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-2-12-21-17-14(18)9-10-16(19-17)20-11-5-7-13-6-3-4-8-15(13)20/h9-10,13,15H,2-8,11-12,18H2,1H3.
What are the key properties of 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-propoxypyridin-3-amine?
6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-propoxypyridin-3-amine has a molecular weight of 289.42 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-propoxypyridin-3-amine is sourced from PubChem (CID 43628006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).