4-Butyl-N-[(5-heptyl-2-thienyl)methylene]benzenamine
Basic information
- CAS
100943-47-3- Standard SMILES
CCCCCCCc1ccc(C=Nc2ccc(CCCC)cc2)s1- InChIKey
LLHAMCWYSXQHPN-UHFFFAOYSA-N- Molecular formula
- C22H31NS
- Average molar mass
- 341.6 g/mol
- Monoisotopic mass
- 341.21772117
Names & identifiers
- Preferred name
- 4-Butyl-N-[(5-heptyl-2-thienyl)methylene]benzenamine
- IUPAC
- N-(4-butylphenyl)-1-(5-heptylthiophen-2-yl)methanimine
Names & synonyms
DTXSID3012172134-Butyl-N-[(5-heptyl-2-thienyl)methylene]benzenamineN-(4-Butylphenyl)-1-(5-heptylthiophen-2-yl)methanimine100943-47-3
Database identifiers
- CAS
100943-47-3- PubChem CID
- 85522937
- DTXSID
DTXSID301217213
Properties
Computed structural properties
- XLogP
- 8.5
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 11
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 333
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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