8-pyridin-3-yl-2-azabicyclo[3.3.1]nonane

C13H18N2 — CID 57485542

IUPAC8-pyridin-3-yl-2-azabicyclo[3.3.1]nonane
SMILESc1cncc(C2CCC3CCNC2C3)c1
InChIInChI=1S/C13H18N2/c1-2-11(9-14-6-1)12-4-3-10-5-7-15-13(12)8-10/h1-2,6,9-10,12-13,15H,3-5,7-8H2
InChIKeyTZHSCEMKJVMPQX-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.33
Rot. Bonds1

About 8-pyridin-3-yl-2-azabicyclo[3.3.1]nonane

8-pyridin-3-yl-2-azabicyclo[3.3.1]nonane (PubChem CID 57485542) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 8-pyridin-3-yl-2-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name8-pyridin-3-yl-2-azabicyclo[3.3.1]nonane
PubChem CID57485542
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name8-pyridin-3-yl-2-azabicyclo[3.3.1]nonane
SMILESc1cncc(C2CCC3CCNC2C3)c1
InChIInChI=1S/C13H18N2/c1-2-11(9-14-6-1)12-4-3-10-5-7-15-13(12)8-10/h1-2,6,9-10,12-13,15H,3-5,7-8H2
InChIKeyTZHSCEMKJVMPQX-UHFFFAOYSA-N
XLogP2.33
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-pyridin-3-yl-2-azabicyclo[3.3.1]nonane?
The IUPAC name of 8-pyridin-3-yl-2-azabicyclo[3.3.1]nonane (CID 57485542) is 8-pyridin-3-yl-2-azabicyclo[3.3.1]nonane.
What is the SMILES notation for 8-pyridin-3-yl-2-azabicyclo[3.3.1]nonane?
The canonical SMILES for 8-pyridin-3-yl-2-azabicyclo[3.3.1]nonane is c1cncc(C2CCC3CCNC2C3)c1.
What is the InChIKey of 8-pyridin-3-yl-2-azabicyclo[3.3.1]nonane?
The InChIKey is TZHSCEMKJVMPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-2-11(9-14-6-1)12-4-3-10-5-7-15-13(12)8-10/h1-2,6,9-10,12-13,15H,3-5,7-8H2.
What are the key properties of 8-pyridin-3-yl-2-azabicyclo[3.3.1]nonane?
8-pyridin-3-yl-2-azabicyclo[3.3.1]nonane has a molecular weight of 202.30 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-pyridin-3-yl-2-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 57485542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).