2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[4,3-b]pyridin-4-yl)ethanamine

C11H22N2O — CID 83915974

IUPAC2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[4,3-b]pyridin-4-yl)ethanamine
SMILESCN1CCC(CCN)C2COCCC21
InChIInChI=1S/C11H22N2O/c1-13-6-3-9(2-5-12)10-8-14-7-4-11(10)13/h9-11H,2-8,12H2,1H3
InChIKeyHMEZMJDCOLXLOI-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.69
Rot. Bonds2

About 2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[4,3-b]pyridin-4-yl)ethanamine

2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[4,3-b]pyridin-4-yl)ethanamine (PubChem CID 83915974) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[4,3-b]pyridin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[4,3-b]pyridin-4-yl)ethanamine
PubChem CID83915974
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[4,3-b]pyridin-4-yl)ethanamine
SMILESCN1CCC(CCN)C2COCCC21
InChIInChI=1S/C11H22N2O/c1-13-6-3-9(2-5-12)10-8-14-7-4-11(10)13/h9-11H,2-8,12H2,1H3
InChIKeyHMEZMJDCOLXLOI-UHFFFAOYSA-N
XLogP0.69
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[4,3-b]pyridin-4-yl)ethanamine?
The IUPAC name of 2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[4,3-b]pyridin-4-yl)ethanamine (CID 83915974) is 2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[4,3-b]pyridin-4-yl)ethanamine.
What is the SMILES notation for 2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[4,3-b]pyridin-4-yl)ethanamine?
The canonical SMILES for 2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[4,3-b]pyridin-4-yl)ethanamine is CN1CCC(CCN)C2COCCC21.
What is the InChIKey of 2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[4,3-b]pyridin-4-yl)ethanamine?
The InChIKey is HMEZMJDCOLXLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-13-6-3-9(2-5-12)10-8-14-7-4-11(10)13/h9-11H,2-8,12H2,1H3.
What are the key properties of 2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[4,3-b]pyridin-4-yl)ethanamine?
2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[4,3-b]pyridin-4-yl)ethanamine has a molecular weight of 198.31 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[4,3-b]pyridin-4-yl)ethanamine is sourced from PubChem (CID 83915974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).