Basic information
- CAS
61822-34-2- Standard SMILES
CCC#CC(N)(CC)CC- InChIKey
WKQSHYNMYBWBSE-UHFFFAOYSA-N- Molecular formula
- C9H17N
- Average molar mass
- 139.24 g/mol
- Monoisotopic mass
- 139.13609955
Names & identifiers
- Preferred name
- 3-Ethylhept-4-yn-3-amine
- IUPAC
- 3-ethylhept-4-yn-3-amine
Names & synonyms
3-ethylhept-4-yn-3-amine4-Heptyn-3-amine, 3-ethyl-61822-34-2SCHEMBL3683550DTXSID40275457AKOS006341437
Database identifiers
- CAS
61822-34-2- PubChem CID
- 43798
- DTXSID
DTXSID40275457
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 143
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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