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

C13H22N2 — CID 175628919

IUPAC3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-azabicyclo[2.2.2]octane
SMILESC1CC2CC1CN2C1CN2CCC1CC2
InChIInChI=1S/C13H22N2/c1-2-12-7-10(1)8-15(12)13-9-14-5-3-11(13)4-6-14/h10-13H,1-9H2
InChIKeyCDFDLFRDOQTMJJ-UHFFFAOYSA-N
MW206.33 g/mol
LogP1.56
Rot. Bonds1

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

3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-azabicyclo[2.2.2]octane (PubChem CID 175628919) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-azabicyclo[2.2.2]octane
PubChem CID175628919
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-azabicyclo[2.2.2]octane
SMILESC1CC2CC1CN2C1CN2CCC1CC2
InChIInChI=1S/C13H22N2/c1-2-12-7-10(1)8-15(12)13-9-14-5-3-11(13)4-6-14/h10-13H,1-9H2
InChIKeyCDFDLFRDOQTMJJ-UHFFFAOYSA-N
XLogP1.56
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-azabicyclo[2.2.2]octane?
The IUPAC name of 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-azabicyclo[2.2.2]octane (CID 175628919) is 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-azabicyclo[2.2.2]octane?
The canonical SMILES for 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-azabicyclo[2.2.2]octane is C1CC2CC1CN2C1CN2CCC1CC2.
What is the InChIKey of 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-azabicyclo[2.2.2]octane?
The InChIKey is CDFDLFRDOQTMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-2-12-7-10(1)8-15(12)13-9-14-5-3-11(13)4-6-14/h10-13H,1-9H2.
What are the key properties of 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-azabicyclo[2.2.2]octane?
3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-azabicyclo[2.2.2]octane has a molecular weight of 206.33 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 175628919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).