Basic information
- Standard SMILES
CCCN(CCC)[C@H]1Cc2c[nH]c3ccc(I)c(c23)C1- InChIKey
NRASMHLUCSVXIC-ZDUSSCGKSA-N- Molecular formula
- C17H23IN2
- Average molar mass
- 382.28 g/mol
Names & identifiers
- Preferred name
- (4S)-6-iodo-4-(di-n-propylamino)-1,3,4,5-tetrahydrobenz[cd]indole
- IUPAC
- (4S)-6-iodo-N,N-dipropyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine
Names & synonyms
SCHEMBL8130073NRASMHLUCSVXIC-ZDUSSCGKSA-N(4S)-6-iodo-4-(di-n-propylamino)-1,3,4, 5-tetrahydrobenz [cd] indole(4S)-6-iodo-4-(di-n-propylamino)-1,3,4,5-tetrahydrobenz[cd]indole
Database identifiers
- PubChem CID
- 10691283
- Nikkaji
- J930.047C
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 19 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 316
Related reactions
10 records
Compound notes
Loading…