Basic information
- CAS
7463-00-5- Standard SMILES
CCN(CC)CCN1CCCCC(C)C1- InChIKey
BSXIQTHNGLVIRW-UHFFFAOYSA-N- Molecular formula
- C13H28N2
- Average molar mass
- 212.37 g/mol
- Monoisotopic mass
- 212.2252489
Names & identifiers
- Preferred name
- N,N-diethyl-2-(3-methylazepan-1-yl)ethanamine
- IUPAC
- N,N-diethyl-2-(3-methylazepan-1-yl)ethanamine
Names & synonyms
7463-00-5N,N-diethyl-2-(3-methylazepan-1-yl)ethanamineDTXSID40331244N,N-Diethyl-2-(3-methylazepan-1-yl)ethan-1-amine
Database identifiers
- CAS
7463-00-5- PubChem CID
- 436591
- DTXSID
DTXSID40331244
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 155
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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