Basic information
- CAS
5431-59-4- Standard SMILES
COc1ccc2nc3c(c(NCCCN(C)C)c2c1)CCCC3- InChIKey
UQFIXYPIRPFPPL-UHFFFAOYSA-N- Molecular formula
- C19H27N3O
- Average molar mass
- 313.4 g/mol
- Monoisotopic mass
- 313.21541249
Names & identifiers
- Preferred name
- N(1)-(7-Methoxy-1,2,3,4-tetrahydro-9-acridinyl)-N(3),N(3)-dimethyl-1,3-propanediamine
- IUPAC
- N-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-N',N'-dimethylpropane-1,3-diamine
Names & synonyms
5431-59-4N(1)-(7-Methoxy-1,2,3,4-tetrahydro-9-acridinyl)-N(3),N(3)-dimethyl-1,3-propanediamineNSC 13611NSC13611N~1~-(7-Methoxy-1,2,3,4-tetrahydro-9-acridinyl)-N~3~,N~3~-dimethyl-1,3-propanediamineCHEMBL2009486DTXSID40202682NCI60_000823DS-001746N-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-N',N'-dimethyl-propane-1,3-diamineN~3~-(7-Methoxy-1,2,3,4-tetrahydroacridin-9-yl)-N~1~,N~1~-dimethylpropane-1,3-diamine
Database identifiers
- CAS
5431-59-4- PubChem CID
- 408487
- DTXSID
DTXSID40202682- ChEMBL
CHEMBL2009486
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 363
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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