Dimethamine
Basic information
- CAS
37551-60-3- Standard SMILES
CN1C[C@H]2C[C@H](C1)C1=C(c3ccc4n(c3=O)C[C@H]3C[C@H]4CN(C)C3)CCC(=O)N1C2- InChIKey
IHFWMWVUSYTWDE-XWTMOSNGSA-N- Molecular formula
- C24H32N4O2
- Average molar mass
- 408.5 g/mol
- Monoisotopic mass
- 408.25252628
Overview
Dimethamine is an alkaloid.
Names & identifiers
- Preferred name
- Dimethamine
- IUPAC
- (1S,9S)-11-methyl-5-[(1R,9R)-11-methyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridec-2-en-3-yl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
Names & synonyms
Dimethamine37551-60-3(1S,9S)-11-methyl-5-[(1R,9R)-11-methyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridec-2-en-3-yl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-oneC10767CHEBI:4605SCHEMBL30969433DTXSID80332018(1S,5S)-3-Methyl-9-[(1R,5R)-3-methyl-8-oxo-1,3,4,5,6,8,9,10-octahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-11-yl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Database identifiers
- CAS
37551-60-3- PubChem CID
- 442952
- DTXSID
DTXSID80332018- ChEBI
CHEBI:4605
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 47.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 903
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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