Basic information
- CAS
67572-00-3- Standard SMILES
CCC(=O)N1C2CCC1CN(CCC(C)(C)O)C2- InChIKey
YYJYXCYBSWETTR-UHFFFAOYSA-N- Molecular formula
- C14H26N2O2
- Average molar mass
- 254.37 g/mol
- Monoisotopic mass
- 254.19942808
Names & identifiers
- Preferred name
- 3,8-Diazabicyclo(3.2.1)octane-3-propanol, alpha,alpha-dimethyl-8-propionyl-
- IUPAC
- 1-[3-(3-hydroxy-3-methylbutyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one
Names & synonyms
BRN 0525461alpha,alpha-Dimethyl-8-propionyl-3,8-diazabicyclo(3.2.1)octane-3-propanol67572-00-35-23-03-00474 (Beilstein Handbook Reference)3,8-Diazabicyclo(3.2.1)octane-3-propanol, alpha,alpha-dimethyl-8-propionyl-3-(3-Idrossi-3-metil)butil-8-propionil-3,8-diazobiciclo(3.2.1)ottano [Italian]3-(3-Idrossi-3-metil)butil-8-propionil-3,8-diazobiciclo(3.2.1)ottanoRefChem:2727401-[3-(3-hydroxy-3-methylbutyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-oneDTXSID60986932
Database identifiers
- CAS
67572-00-3- PubChem CID
- 3051620
- DTXSID
DTXSID60986932- Nikkaji
- J68.479A
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 303
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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