2-(2-azabicyclo[2.2.1]heptan-3-yl)-1-azabicyclo[2.2.2]octane

C13H22N2 — CID 130281432

IUPAC2-(2-azabicyclo[2.2.1]heptan-3-yl)-1-azabicyclo[2.2.2]octane
SMILESC1CN2CCC1CC2C1NC2CCC1C2
InChIInChI=1S/C13H22N2/c1-2-11-8-10(1)13(14-11)12-7-9-3-5-15(12)6-4-9/h9-14H,1-8H2
InChIKeyIVUDQXGUODAJFO-UHFFFAOYSA-N
MW206.33 g/mol
LogP1.61
Rot. Bonds1

About 2-(2-azabicyclo[2.2.1]heptan-3-yl)-1-azabicyclo[2.2.2]octane

2-(2-azabicyclo[2.2.1]heptan-3-yl)-1-azabicyclo[2.2.2]octane (PubChem CID 130281432) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-(2-azabicyclo[2.2.1]heptan-3-yl)-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name2-(2-azabicyclo[2.2.1]heptan-3-yl)-1-azabicyclo[2.2.2]octane
PubChem CID130281432
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name2-(2-azabicyclo[2.2.1]heptan-3-yl)-1-azabicyclo[2.2.2]octane
SMILESC1CN2CCC1CC2C1NC2CCC1C2
InChIInChI=1S/C13H22N2/c1-2-11-8-10(1)13(14-11)12-7-9-3-5-15(12)6-4-9/h9-14H,1-8H2
InChIKeyIVUDQXGUODAJFO-UHFFFAOYSA-N
XLogP1.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-azabicyclo[2.2.1]heptan-3-yl)-1-azabicyclo[2.2.2]octane?
The IUPAC name of 2-(2-azabicyclo[2.2.1]heptan-3-yl)-1-azabicyclo[2.2.2]octane (CID 130281432) is 2-(2-azabicyclo[2.2.1]heptan-3-yl)-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for 2-(2-azabicyclo[2.2.1]heptan-3-yl)-1-azabicyclo[2.2.2]octane?
The canonical SMILES for 2-(2-azabicyclo[2.2.1]heptan-3-yl)-1-azabicyclo[2.2.2]octane is C1CN2CCC1CC2C1NC2CCC1C2.
What is the InChIKey of 2-(2-azabicyclo[2.2.1]heptan-3-yl)-1-azabicyclo[2.2.2]octane?
The InChIKey is IVUDQXGUODAJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-2-11-8-10(1)13(14-11)12-7-9-3-5-15(12)6-4-9/h9-14H,1-8H2.
What are the key properties of 2-(2-azabicyclo[2.2.1]heptan-3-yl)-1-azabicyclo[2.2.2]octane?
2-(2-azabicyclo[2.2.1]heptan-3-yl)-1-azabicyclo[2.2.2]octane has a molecular weight of 206.33 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azabicyclo[2.2.1]heptan-3-yl)-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 130281432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).