2,5,5,6,6-pentamethyl-2-azabicyclo[2.2.2]octane

C12H23N — CID 20664055

IUPAC2,5,5,6,6-pentamethyl-2-azabicyclo[2.2.2]octane
SMILESCN1CC2CCC1C(C)(C)C2(C)C
InChIInChI=1S/C12H23N/c1-11(2)9-6-7-10(12(11,3)4)13(5)8-9/h9-10H,6-8H2,1-5H3
InChIKeySOJUADXCADSJTE-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.76
Rot. Bonds

About 2,5,5,6,6-pentamethyl-2-azabicyclo[2.2.2]octane

2,5,5,6,6-pentamethyl-2-azabicyclo[2.2.2]octane (PubChem CID 20664055) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 2,5,5,6,6-pentamethyl-2-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name2,5,5,6,6-pentamethyl-2-azabicyclo[2.2.2]octane
PubChem CID20664055
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name2,5,5,6,6-pentamethyl-2-azabicyclo[2.2.2]octane
SMILESCN1CC2CCC1C(C)(C)C2(C)C
InChIInChI=1S/C12H23N/c1-11(2)9-6-7-10(12(11,3)4)13(5)8-9/h9-10H,6-8H2,1-5H3
InChIKeySOJUADXCADSJTE-UHFFFAOYSA-N
XLogP2.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5,5,6,6-pentamethyl-2-azabicyclo[2.2.2]octane?
The IUPAC name of 2,5,5,6,6-pentamethyl-2-azabicyclo[2.2.2]octane (CID 20664055) is 2,5,5,6,6-pentamethyl-2-azabicyclo[2.2.2]octane.
What is the SMILES notation for 2,5,5,6,6-pentamethyl-2-azabicyclo[2.2.2]octane?
The canonical SMILES for 2,5,5,6,6-pentamethyl-2-azabicyclo[2.2.2]octane is CN1CC2CCC1C(C)(C)C2(C)C.
What is the InChIKey of 2,5,5,6,6-pentamethyl-2-azabicyclo[2.2.2]octane?
The InChIKey is SOJUADXCADSJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-11(2)9-6-7-10(12(11,3)4)13(5)8-9/h9-10H,6-8H2,1-5H3.
What are the key properties of 2,5,5,6,6-pentamethyl-2-azabicyclo[2.2.2]octane?
2,5,5,6,6-pentamethyl-2-azabicyclo[2.2.2]octane has a molecular weight of 181.32 g/mol, XLogP of 2.76, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5,6,6-pentamethyl-2-azabicyclo[2.2.2]octane is sourced from PubChem (CID 20664055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).