Basic information
- CAS
1548739-72-5- Standard SMILES
CCN1CCCCC(CNC)C1c1cn(C)nc1C- InChIKey
CHCZFBURJNXGGR-UHFFFAOYSA-N- Molecular formula
- C15H28N4
- Average molar mass
- 264.41 g/mol
- Monoisotopic mass
- 264.23139691
Names & identifiers
- Preferred name
- 1-[2-(1,3-Dimethyl-1H-pyrazol-4-yl)-1-ethylazepan-3-yl]-N-methylmethanamine
- IUPAC
- 1-[2-(1,3-dimethylpyrazol-4-yl)-1-ethylazepan-3-yl]-N-methylmethanamine
Names & synonyms
DTXSID001128095AKOS0214165281-[2-(1,3-Dimethyl-1H-pyrazol-4-yl)-1-ethylazepan-3-yl]-N-methylmethanamine1H-Azepine-3-methanamine, 2-(1,3-dimethyl-1H-pyrazol-4-yl)-1-ethylhexahydro-N-methyl-1548739-72-5
Database identifiers
- CAS
1548739-72-5- PubChem CID
- 83095151
- DTXSID
DTXSID001128095
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 33.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 271
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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