9-Methyl-9-azabicyclo[3.3.1]nonane-2,6-diol

HCID 574339

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Basic information

CAS: 57617-75-1
Standard SMILES: CN1C2CCC(O)C1CCC2O
InChIKey: NIEBUGNXKVOUCP-UHFFFAOYSA-N
Molecular formula: C9H17NO2
Average molar mass: 171.24 g/mol
Monoisotopic mass: 171.12592879

Names & identifiers

Preferred name: 9-Methyl-9-azabicyclo[3.3.1]nonane-2,6-diol
IUPAC: 9-methyl-9-azabicyclo[3.3.1]nonane-2,6-diol

Names & synonyms

9-Methyl-9-azabicyclo[3.3.1]nonane-2,6-diol57617-75-1SCHEMBL11838965DTXSID00341602NIEBUGNXKVOUCP-UHFFFAOYSA-N9-Methyl-9-azabicyclo[3.3.1]nonane-2,6-diol #9-Azabicyclo[3.3.1]nonane-2,6-diol, 9-methyl-, (endo,endo)-

Database identifiers

CAS: 57617-75-1
PubChem CID: 574339
DTXSID: DTXSID00341602

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 43.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 156

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