Basic information
- CAS
47352-76-1- Standard SMILES
CCN(CC)CCCC(C)Nc1c(C)cnc2cc(C)c(C)cc12- InChIKey
MJXLLGCODJAHOJ-UHFFFAOYSA-N- Molecular formula
- C21H33N3
- Average molar mass
- 327.5 g/mol
- Monoisotopic mass
- 327.26744807
Names & identifiers
- Preferred name
- n1,n1-Diethyl-n4-(3,6,7-trimethylquinolin-4-yl)pentane-1,4-diamine
- IUPAC
- 1-N,1-N-diethyl-4-N-(3,6,7-trimethylquinolin-4-yl)pentane-1,4-diamine
Names & synonyms
47352-76-1n1,n1-diethyl-n4-(3,6,7-trimethylquinolin-4-yl)pentane-1,4-diamineNSC13467DTXSID20279630NSC-13467N~1~,N~1~-Diethyl-N~4~-(3,6,7-trimethylquinolin-4-yl)pentane-1,4-diamine
Database identifiers
- CAS
47352-76-1- PubChem CID
- 224737
- DTXSID
DTXSID20279630
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 355
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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