3-(1,4-Diazepan-1-YL)-N-methylpropanamide
Basic information
- CAS
89009-72-3- Standard SMILES
CNC(=O)CCN1CCCNCC1- InChIKey
SCLHHGXMZUEAOR-UHFFFAOYSA-N- Molecular formula
- C9H19N3O
- Average molar mass
- 185.27 g/mol
- Monoisotopic mass
- 185.15281224
Names & identifiers
- Preferred name
- 3-(1,4-Diazepan-1-YL)-N-methylpropanamide
- IUPAC
- 3-(1,4-diazepan-1-yl)-N-methylpropanamide
Names & synonyms
89009-72-33-(1,4-DIAZEPAN-1-YL)-N-METHYLPROPANAMIDEDTXSID90734367AKOS011608271
Database identifiers
- CAS
89009-72-3- PubChem CID
- 62324151
- DTXSID
DTXSID90734367
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 44.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 161
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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