Basic information
- CAS
5438-89-1- Standard SMILES
CCN(CC)CCCC(C)Nc1c(C)cnc2ccc(C)cc12- InChIKey
YOQJFQXDPIELFE-UHFFFAOYSA-N- Molecular formula
- C20H31N3
- Average molar mass
- 313.5 g/mol
- Monoisotopic mass
- 313.251798
Names & identifiers
- Preferred name
- n4-(3,6-Dimethylquinolin-4-yl)-n1,n1-diethylpentane-1,4-diamine
- IUPAC
- 4-N-(3,6-dimethylquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
Names & synonyms
5438-89-1n4-(3,6-dimethylquinolin-4-yl)-n1,n1-diethylpentane-1,4-diamineNSC15028DTXSID60279992NSC-15028DS-011562N-(3,6-dimethylquinolin-4-yl)-n,n-diethyl-pentane-1,4-diamineN~4~-(3,6-Dimethylquinolin-4-yl)-N~1~,N~1~-diethylpentane-1,4-diamine
Database identifiers
- CAS
5438-89-1- PubChem CID
- 225516
- DTXSID
DTXSID60279992
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 329
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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