6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methoxypyridin-3-amine

C14H21N3O — CID 82747400

IUPAC6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methoxypyridin-3-amine
SMILESCOc1nc(N2CCC3CCCCC32)ccc1N
InChIInChI=1S/C14H21N3O/c1-18-14-11(15)6-7-13(16-14)17-9-8-10-4-2-3-5-12(10)17/h6-7,10,12H,2-5,8-9,15H2,1H3
InChIKeyOXQDJEYWEQXLBP-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.44
Rot. Bonds2

About 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methoxypyridin-3-amine

6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methoxypyridin-3-amine (PubChem CID 82747400) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methoxypyridin-3-amine.

Molecular Properties

Compound Name6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methoxypyridin-3-amine
PubChem CID82747400
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methoxypyridin-3-amine
SMILESCOc1nc(N2CCC3CCCCC32)ccc1N
InChIInChI=1S/C14H21N3O/c1-18-14-11(15)6-7-13(16-14)17-9-8-10-4-2-3-5-12(10)17/h6-7,10,12H,2-5,8-9,15H2,1H3
InChIKeyOXQDJEYWEQXLBP-UHFFFAOYSA-N
XLogP2.44
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methoxypyridin-3-amine?
The IUPAC name of 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methoxypyridin-3-amine (CID 82747400) is 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methoxypyridin-3-amine.
What is the SMILES notation for 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methoxypyridin-3-amine?
The canonical SMILES for 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methoxypyridin-3-amine is COc1nc(N2CCC3CCCCC32)ccc1N.
What is the InChIKey of 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methoxypyridin-3-amine?
The InChIKey is OXQDJEYWEQXLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-18-14-11(15)6-7-13(16-14)17-9-8-10-4-2-3-5-12(10)17/h6-7,10,12H,2-5,8-9,15H2,1H3.
What are the key properties of 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methoxypyridin-3-amine?
6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methoxypyridin-3-amine has a molecular weight of 247.34 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methoxypyridin-3-amine is sourced from PubChem (CID 82747400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).