4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]pyridin-3-amine

C12H17N3O — CID 90212138

IUPAC4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]pyridin-3-amine
SMILESNc1cnccc1O[C@H]1CN2CCC1CC2
InChIInChI=1S/C12H17N3O/c13-10-7-14-4-1-11(10)16-12-8-15-5-2-9(12)3-6-15/h1,4,7,9,12H,2-3,5-6,8,13H2/t12-/m0/s1
InChIKeyJRKJKRSEPBNGPA-LBPRGKRZSA-N
MW219.29 g/mol
LogP1.14
Rot. Bonds2

About 4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]pyridin-3-amine

4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]pyridin-3-amine (PubChem CID 90212138) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]pyridin-3-amine.

Molecular Properties

Compound Name4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]pyridin-3-amine
PubChem CID90212138
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]pyridin-3-amine
SMILESNc1cnccc1O[C@H]1CN2CCC1CC2
InChIInChI=1S/C12H17N3O/c13-10-7-14-4-1-11(10)16-12-8-15-5-2-9(12)3-6-15/h1,4,7,9,12H,2-3,5-6,8,13H2/t12-/m0/s1
InChIKeyJRKJKRSEPBNGPA-LBPRGKRZSA-N
XLogP1.14
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]pyridin-3-amine?
The IUPAC name of 4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]pyridin-3-amine (CID 90212138) is 4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]pyridin-3-amine.
What is the SMILES notation for 4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]pyridin-3-amine?
The canonical SMILES for 4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]pyridin-3-amine is Nc1cnccc1O[C@H]1CN2CCC1CC2.
What is the InChIKey of 4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]pyridin-3-amine?
The InChIKey is JRKJKRSEPBNGPA-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H17N3O/c13-10-7-14-4-1-11(10)16-12-8-15-5-2-9(12)3-6-15/h1,4,7,9,12H,2-3,5-6,8,13H2/t12-/m0/s1.
What are the key properties of 4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]pyridin-3-amine?
4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]pyridin-3-amine has a molecular weight of 219.29 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]pyridin-3-amine is sourced from PubChem (CID 90212138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).