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

C23H39N3 — CID 167174300

IUPAC6-[[8-(1-azabicyclo[3.2.1]octan-2-yl)-2-azabicyclo[3.2.1]octan-2-yl]methyl]-2-methyl-2-azabicyclo[2.2.2]octane
SMILESCN1CC2CCC1C(CN1CCC3CCC1C3C1CCC3CCN1C3)C2
InChIInChI=1S/C23H39N3/c1-24-13-17-3-5-20(24)19(12-17)15-26-11-9-18-4-7-22(26)23(18)21-6-2-16-8-10-25(21)14-16/h16-23H,2-15H2,1H3
InChIKeyBAOFLXVESDBNJI-UHFFFAOYSA-N
MW357.59 g/mol
LogP3.30
Rot. Bonds3

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

6-[[8-(1-azabicyclo[3.2.1]octan-2-yl)-2-azabicyclo[3.2.1]octan-2-yl]methyl]-2-methyl-2-azabicyclo[2.2.2]octane (PubChem CID 167174300) has the molecular formula C23H39N3 and a molecular weight of 357.59 g/mol. Its IUPAC name is 6-[[8-(1-azabicyclo[3.2.1]octan-2-yl)-2-azabicyclo[3.2.1]octan-2-yl]methyl]-2-methyl-2-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name6-[[8-(1-azabicyclo[3.2.1]octan-2-yl)-2-azabicyclo[3.2.1]octan-2-yl]methyl]-2-methyl-2-azabicyclo[2.2.2]octane
PubChem CID167174300
Molecular FormulaC23H39N3
Molecular Weight357.59 g/mol
Exact Mass357.31
IUPAC Name6-[[8-(1-azabicyclo[3.2.1]octan-2-yl)-2-azabicyclo[3.2.1]octan-2-yl]methyl]-2-methyl-2-azabicyclo[2.2.2]octane
SMILESCN1CC2CCC1C(CN1CCC3CCC1C3C1CCC3CCN1C3)C2
InChIInChI=1S/C23H39N3/c1-24-13-17-3-5-20(24)19(12-17)15-26-11-9-18-4-7-22(26)23(18)21-6-2-16-8-10-25(21)14-16/h16-23H,2-15H2,1H3
InChIKeyBAOFLXVESDBNJI-UHFFFAOYSA-N
XLogP3.30
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.59
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-[[8-(1-azabicyclo[3.2.1]octan-2-yl)-2-azabicyclo[3.2.1]octan-2-yl]methyl]-2-methyl-2-azabicyclo[2.2.2]octane with MolForge

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Related Compounds

8-(1-Azabicyclo[3.2.1]octan-2-yl)-2-[(2-methyl-2-azabicyclo[2.2.2]octan-6-yl)methyl]-2-azabicyclo[4.2.1]nonane
CID 126709771
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

Frequently Asked Questions

What is the IUPAC name of 6-[[8-(1-azabicyclo[3.2.1]octan-2-yl)-2-azabicyclo[3.2.1]octan-2-yl]methyl]-2-methyl-2-azabicyclo[2.2.2]octane?
The IUPAC name of 6-[[8-(1-azabicyclo[3.2.1]octan-2-yl)-2-azabicyclo[3.2.1]octan-2-yl]methyl]-2-methyl-2-azabicyclo[2.2.2]octane (CID 167174300) is 6-[[8-(1-azabicyclo[3.2.1]octan-2-yl)-2-azabicyclo[3.2.1]octan-2-yl]methyl]-2-methyl-2-azabicyclo[2.2.2]octane.
What is the SMILES notation for 6-[[8-(1-azabicyclo[3.2.1]octan-2-yl)-2-azabicyclo[3.2.1]octan-2-yl]methyl]-2-methyl-2-azabicyclo[2.2.2]octane?
The canonical SMILES for 6-[[8-(1-azabicyclo[3.2.1]octan-2-yl)-2-azabicyclo[3.2.1]octan-2-yl]methyl]-2-methyl-2-azabicyclo[2.2.2]octane is CN1CC2CCC1C(CN1CCC3CCC1C3C1CCC3CCN1C3)C2.
What is the InChIKey of 6-[[8-(1-azabicyclo[3.2.1]octan-2-yl)-2-azabicyclo[3.2.1]octan-2-yl]methyl]-2-methyl-2-azabicyclo[2.2.2]octane?
The InChIKey is BAOFLXVESDBNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N3/c1-24-13-17-3-5-20(24)19(12-17)15-26-11-9-18-4-7-22(26)23(18)21-6-2-16-8-10-25(21)14-16/h16-23H,2-15H2,1H3.
What are the key properties of 6-[[8-(1-azabicyclo[3.2.1]octan-2-yl)-2-azabicyclo[3.2.1]octan-2-yl]methyl]-2-methyl-2-azabicyclo[2.2.2]octane?
6-[[8-(1-azabicyclo[3.2.1]octan-2-yl)-2-azabicyclo[3.2.1]octan-2-yl]methyl]-2-methyl-2-azabicyclo[2.2.2]octane has a molecular weight of 357.59 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[8-(1-azabicyclo[3.2.1]octan-2-yl)-2-azabicyclo[3.2.1]octan-2-yl]methyl]-2-methyl-2-azabicyclo[2.2.2]octane is sourced from PubChem (CID 167174300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).