5-[2-(8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropyl]-2-propan-2-yl-2-azabicyclo[2.2.2]octane

C21H38N2 — CID 155454844

IUPAC5-[2-(8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropyl]-2-propan-2-yl-2-azabicyclo[2.2.2]octane
SMILESCC(C)N1CC2CCC1CC2CC(C)(C)N1C2CCCC1CC2
InChIInChI=1S/C21H38N2/c1-15(2)22-14-16-8-9-20(22)12-17(16)13-21(3,4)23-18-6-5-7-19(23)11-10-18/h15-20H,5-14H2,1-4H3
InChIKeyLBEVKYRAIFVCLT-UHFFFAOYSA-N
MW318.55 g/mol
LogP4.68
Rot. Bonds4

About 5-[2-(8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropyl]-2-propan-2-yl-2-azabicyclo[2.2.2]octane

5-[2-(8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropyl]-2-propan-2-yl-2-azabicyclo[2.2.2]octane (PubChem CID 155454844) has the molecular formula C21H38N2 and a molecular weight of 318.55 g/mol. Its IUPAC name is 5-[2-(8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropyl]-2-propan-2-yl-2-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name5-[2-(8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropyl]-2-propan-2-yl-2-azabicyclo[2.2.2]octane
PubChem CID155454844
Molecular FormulaC21H38N2
Molecular Weight318.55 g/mol
Exact Mass318.30
IUPAC Name5-[2-(8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropyl]-2-propan-2-yl-2-azabicyclo[2.2.2]octane
SMILESCC(C)N1CC2CCC1CC2CC(C)(C)N1C2CCCC1CC2
InChIInChI=1S/C21H38N2/c1-15(2)22-14-16-8-9-20(22)12-17(16)13-21(3,4)23-18-6-5-7-19(23)11-10-18/h15-20H,5-14H2,1-4H3
InChIKeyLBEVKYRAIFVCLT-UHFFFAOYSA-N
XLogP4.68
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.55
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropyl]-2-propan-2-yl-2-azabicyclo[2.2.2]octane?
The IUPAC name of 5-[2-(8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropyl]-2-propan-2-yl-2-azabicyclo[2.2.2]octane (CID 155454844) is 5-[2-(8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropyl]-2-propan-2-yl-2-azabicyclo[2.2.2]octane.
What is the SMILES notation for 5-[2-(8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropyl]-2-propan-2-yl-2-azabicyclo[2.2.2]octane?
The canonical SMILES for 5-[2-(8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropyl]-2-propan-2-yl-2-azabicyclo[2.2.2]octane is CC(C)N1CC2CCC1CC2CC(C)(C)N1C2CCCC1CC2.
What is the InChIKey of 5-[2-(8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropyl]-2-propan-2-yl-2-azabicyclo[2.2.2]octane?
The InChIKey is LBEVKYRAIFVCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N2/c1-15(2)22-14-16-8-9-20(22)12-17(16)13-21(3,4)23-18-6-5-7-19(23)11-10-18/h15-20H,5-14H2,1-4H3.
What are the key properties of 5-[2-(8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropyl]-2-propan-2-yl-2-azabicyclo[2.2.2]octane?
5-[2-(8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropyl]-2-propan-2-yl-2-azabicyclo[2.2.2]octane has a molecular weight of 318.55 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropyl]-2-propan-2-yl-2-azabicyclo[2.2.2]octane is sourced from PubChem (CID 155454844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).