Basic information
- CAS
1088233-82-2- Standard SMILES
CN(C)CCN1CCC2CCCCC2C1- InChIKey
RBINPKUUBGRPLS-UHFFFAOYSA-N- Molecular formula
- C13H26N2
- Average molar mass
- 210.36 g/mol
- Monoisotopic mass
- 210.20959884
Names & identifiers
- Preferred name
- 2-(Dimethylaminoethyl)-1,2,3,4,5,6,7,8-octahydroisoquinoline
- IUPAC
- 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N,N-dimethylethanamine
Names & synonyms
2P32OT4ATKUNII-2P32OT4ATK2-(Dimethylaminoethyl)-1,2,3,4,5,6,7,8-octahydroisoquinoline2(1H)-Isoquinolineethanamine, octahydro-N,N-dimethyl1088233-82-2
Database identifiers
- CAS
1088233-82-2- PubChem CID
- 31056
- UNII
- 2P32OT4ATK
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 191
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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