8-(1-azabicyclo[3.2.1]octan-2-yl)-2-(2-azabicyclo[2.2.2]octan-6-yl)-2-azabicyclo[3.2.1]octane

C21H35N3 — CID 175638095

IUPAC8-(1-azabicyclo[3.2.1]octan-2-yl)-2-(2-azabicyclo[2.2.2]octan-6-yl)-2-azabicyclo[3.2.1]octane
SMILESC1CC2NCC1CC2N1CCC2CCC1C2C1CCC2CCN1C2
InChIInChI=1S/C21H35N3/c1-4-17-20(11-15(1)12-22-17)24-10-8-16-3-6-19(24)21(16)18-5-2-14-7-9-23(18)13-14/h14-22H,1-13H2
InChIKeyFVJIUYXGPSANEE-UHFFFAOYSA-N
MW329.53 g/mol
LogP2.71
Rot. Bonds2

About 8-(1-azabicyclo[3.2.1]octan-2-yl)-2-(2-azabicyclo[2.2.2]octan-6-yl)-2-azabicyclo[3.2.1]octane

8-(1-azabicyclo[3.2.1]octan-2-yl)-2-(2-azabicyclo[2.2.2]octan-6-yl)-2-azabicyclo[3.2.1]octane (PubChem CID 175638095) has the molecular formula C21H35N3 and a molecular weight of 329.53 g/mol. Its IUPAC name is 8-(1-azabicyclo[3.2.1]octan-2-yl)-2-(2-azabicyclo[2.2.2]octan-6-yl)-2-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-(1-azabicyclo[3.2.1]octan-2-yl)-2-(2-azabicyclo[2.2.2]octan-6-yl)-2-azabicyclo[3.2.1]octane
PubChem CID175638095
Molecular FormulaC21H35N3
Molecular Weight329.53 g/mol
Exact Mass329.28
IUPAC Name8-(1-azabicyclo[3.2.1]octan-2-yl)-2-(2-azabicyclo[2.2.2]octan-6-yl)-2-azabicyclo[3.2.1]octane
SMILESC1CC2NCC1CC2N1CCC2CCC1C2C1CCC2CCN1C2
InChIInChI=1S/C21H35N3/c1-4-17-20(11-15(1)12-22-17)24-10-8-16-3-6-19(24)21(16)18-5-2-14-7-9-23(18)13-14/h14-22H,1-13H2
InChIKeyFVJIUYXGPSANEE-UHFFFAOYSA-N
XLogP2.71
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.53
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(1-azabicyclo[3.2.1]octan-2-yl)-2-(2-azabicyclo[2.2.2]octan-6-yl)-2-azabicyclo[3.2.1]octane?
The IUPAC name of 8-(1-azabicyclo[3.2.1]octan-2-yl)-2-(2-azabicyclo[2.2.2]octan-6-yl)-2-azabicyclo[3.2.1]octane (CID 175638095) is 8-(1-azabicyclo[3.2.1]octan-2-yl)-2-(2-azabicyclo[2.2.2]octan-6-yl)-2-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-(1-azabicyclo[3.2.1]octan-2-yl)-2-(2-azabicyclo[2.2.2]octan-6-yl)-2-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-(1-azabicyclo[3.2.1]octan-2-yl)-2-(2-azabicyclo[2.2.2]octan-6-yl)-2-azabicyclo[3.2.1]octane is C1CC2NCC1CC2N1CCC2CCC1C2C1CCC2CCN1C2.
What is the InChIKey of 8-(1-azabicyclo[3.2.1]octan-2-yl)-2-(2-azabicyclo[2.2.2]octan-6-yl)-2-azabicyclo[3.2.1]octane?
The InChIKey is FVJIUYXGPSANEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3/c1-4-17-20(11-15(1)12-22-17)24-10-8-16-3-6-19(24)21(16)18-5-2-14-7-9-23(18)13-14/h14-22H,1-13H2.
What are the key properties of 8-(1-azabicyclo[3.2.1]octan-2-yl)-2-(2-azabicyclo[2.2.2]octan-6-yl)-2-azabicyclo[3.2.1]octane?
8-(1-azabicyclo[3.2.1]octan-2-yl)-2-(2-azabicyclo[2.2.2]octan-6-yl)-2-azabicyclo[3.2.1]octane has a molecular weight of 329.53 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-azabicyclo[3.2.1]octan-2-yl)-2-(2-azabicyclo[2.2.2]octan-6-yl)-2-azabicyclo[3.2.1]octane is sourced from PubChem (CID 175638095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).