2-methyl-2-azabicyclo[2.2.2]octan-5-ol

C8H15NO — CID 14762842

IUPAC2-methyl-2-azabicyclo[2.2.2]octan-5-ol
SMILESCN1CC2CCC1CC2O
InChIInChI=1S/C8H15NO/c1-9-5-6-2-3-7(9)4-8(6)10/h6-8,10H,2-5H2,1H3
InChIKeySXQGCSCEYOWSCM-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.46
Rot. Bonds

About 2-methyl-2-azabicyclo[2.2.2]octan-5-ol

2-methyl-2-azabicyclo[2.2.2]octan-5-ol (PubChem CID 14762842) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-methyl-2-azabicyclo[2.2.2]octan-5-ol.

Molecular Properties

Compound Name2-methyl-2-azabicyclo[2.2.2]octan-5-ol
PubChem CID14762842
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-methyl-2-azabicyclo[2.2.2]octan-5-ol
SMILESCN1CC2CCC1CC2O
InChIInChI=1S/C8H15NO/c1-9-5-6-2-3-7(9)4-8(6)10/h6-8,10H,2-5H2,1H3
InChIKeySXQGCSCEYOWSCM-UHFFFAOYSA-N
XLogP0.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-azabicyclo[2.2.2]octan-5-ol?
The IUPAC name of 2-methyl-2-azabicyclo[2.2.2]octan-5-ol (CID 14762842) is 2-methyl-2-azabicyclo[2.2.2]octan-5-ol.
What is the SMILES notation for 2-methyl-2-azabicyclo[2.2.2]octan-5-ol?
The canonical SMILES for 2-methyl-2-azabicyclo[2.2.2]octan-5-ol is CN1CC2CCC1CC2O.
What is the InChIKey of 2-methyl-2-azabicyclo[2.2.2]octan-5-ol?
The InChIKey is SXQGCSCEYOWSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-9-5-6-2-3-7(9)4-8(6)10/h6-8,10H,2-5H2,1H3.
What are the key properties of 2-methyl-2-azabicyclo[2.2.2]octan-5-ol?
2-methyl-2-azabicyclo[2.2.2]octan-5-ol has a molecular weight of 141.21 g/mol, XLogP of 0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-azabicyclo[2.2.2]octan-5-ol is sourced from PubChem (CID 14762842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).