Basic information
- CAS
16987-28-3- Standard SMILES
CCN(CC)c1ccc(C=NN2CCCCCC2)cc1- InChIKey
DBJDUPSNGKBPPH-UHFFFAOYSA-N- Molecular formula
- C17H27N3
- Average molar mass
- 273.4 g/mol
- Monoisotopic mass
- 273.22049787
Names & identifiers
- Preferred name
- 4-{[(Azepan-1-yl)imino]methyl}-N,N-diethylaniline
- IUPAC
- 4-(azepan-1-yliminomethyl)-N,N-diethylaniline
Names & synonyms
MLS002694506NCIOpen2_004492CHEMBL1726340DTXSID50937695HMS3094I19SMR0015604344-{[(Azepan-1-yl)imino]methyl}-N,N-diethylaniline
Database identifiers
- CAS
16987-28-3- PubChem CID
- 28181
- DTXSID
DTXSID50937695- ChEMBL
CHEMBL1726340
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 18.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 270
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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