8-[6-(methylamino)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol

C13H19N3O — CID 80845741

IUPAC8-[6-(methylamino)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCNc1cccc(N2C3CCC2CC(O)C3)n1
InChIInChI=1S/C13H19N3O/c1-14-12-3-2-4-13(15-12)16-9-5-6-10(16)8-11(17)7-9/h2-4,9-11,17H,5-8H2,1H3,(H,14,15)
InChIKeyJBVIOOIUISQZAZ-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.62
Rot. Bonds2

About 8-[6-(methylamino)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol

8-[6-(methylamino)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 80845741) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 8-[6-(methylamino)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[6-(methylamino)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID80845741
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name8-[6-(methylamino)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCNc1cccc(N2C3CCC2CC(O)C3)n1
InChIInChI=1S/C13H19N3O/c1-14-12-3-2-4-13(15-12)16-9-5-6-10(16)8-11(17)7-9/h2-4,9-11,17H,5-8H2,1H3,(H,14,15)
InChIKeyJBVIOOIUISQZAZ-UHFFFAOYSA-N
XLogP1.62
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[6-(methylamino)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[6-(methylamino)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 80845741) is 8-[6-(methylamino)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[6-(methylamino)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[6-(methylamino)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol is CNc1cccc(N2C3CCC2CC(O)C3)n1.
What is the InChIKey of 8-[6-(methylamino)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is JBVIOOIUISQZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-14-12-3-2-4-13(15-12)16-9-5-6-10(16)8-11(17)7-9/h2-4,9-11,17H,5-8H2,1H3,(H,14,15).
What are the key properties of 8-[6-(methylamino)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[6-(methylamino)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 233.31 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-(methylamino)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 80845741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).