Basic information
- CAS
36887-29-3- Standard SMILES
CCCCN1CC2CC(C)C(N3CCCC3)C(C1)C2(O)c1ccccc1- InChIKey
CXVHONOYIDCEAX-UHFFFAOYSA-N- Molecular formula
- C23H36N2O
- Average molar mass
- 356.5 g/mol
- Monoisotopic mass
- 356.28276378
Names & identifiers
- Preferred name
- 3-Azabicyclo(3.3.1)nonan-9-ol, 3-butyl-7-methyl-9-phenyl-6-(1-pyrrolidinyl)-
- IUPAC
- 3-butyl-7-methyl-9-phenyl-6-pyrrolidin-1-yl-3-azabicyclo[3.3.1]nonan-9-ol
Names & synonyms
BRN 04367693-Butyl-7-methyl-9-phenyl-6-(1-pyrrolidinyl)-3-azabicyclo(3.3.1)nonan-9-ol36887-29-33-AZABICYCLO(3.3.1)NONAN-9-OL, 3-BUTYL-7-METHYL-9-PHENYL-6-(1-PYRROLIDINYL)-RefChem:276772DTXSID909580813-Butyl-7-methyl-9-phenyl-6-(pyrrolidin-1-yl)-3-azabicyclo[3.3.1]nonan-9-ol
Database identifiers
- CAS
36887-29-3- PubChem CID
- 37567
- DTXSID
DTXSID90958081- Nikkaji
- J62.337G
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 26.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 457
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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