Basic information
- Standard SMILES
CCN(CC)C(=O)[C@@H]1C=C2c3cccc4c3c(cn4CCC(C)N)C[C@H]2N(C)C1- InChIKey
YSNCNJSZSUEAFG-AGVRXMCOSA-N- Molecular formula
- C24H34N4O
- Average molar mass
- 394.6 g/mol
- Monoisotopic mass
- 394.27326172
Names & identifiers
- Preferred name
- 1-(3-aminobutyl)-N,N-diethyl-D-lysergamide
- IUPAC
- (6aR,9R)-4-(3-aminobutyl)-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
Names & synonyms
SCHEMBL6572309YSNCNJSZSUEAFG-AGVRXMCOSA-N1-(3-aminobutyl)-N,N-diethyl-D-lysergamide
Database identifiers
- PubChem CID
- 22894552
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 630
Related reactions
2 records
Compound notes
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