Basic information
- Standard SMILES
CC(=O)N1CCCN(c2ccc(N)cc2)CC1- InChIKey
NAGIUNDJXZEGFW-UHFFFAOYSA-N- Molecular formula
- C13H19N3O
- Average molar mass
- 233.31 g/mol
Names & identifiers
- Preferred name
- 4-(4-Acetyl-1,4-diazepan-1-yl)aniline
- IUPAC
- 1-[4-(4-aminophenyl)-1,4-diazepan-1-yl]ethanone
Names & synonyms
497249-28-24-(4-Acetyl-1,4-diazepan-1-yl)aniline1-(4-(4-Aminophenyl)-1,4-diazepan-1-yl)ethanone1-[4-(4-aminophenyl)-1,4-diazepan-1-yl]ethan-1-one1-[4-(4-AMINOPHENYL)-1,4-DIAZEPAN-1-YL]ETHANONE1-(4-(4-Aminophenyl)-1,4-diazepan-1-yl)ethan-1-oneMFCD10036744SCHEMBL3548441NAGIUNDJXZEGFW-UHFFFAOYSA-NAKOS0108595744-(4-Acetylhomopiperazin-1-yl)anilineCS-0272191
Show more names
EN300-238781[4-(4-acetyl-1,4-diazepan-1-yl)phenyl]amine
Database identifiers
- PubChem CID
- 28809123
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 49.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 261
Related reactions
2 records
Compound notes
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