Basic information
- Standard SMILES
CCCN(CC=CC#CC(C)(C)C)Cc1cccc(O)c1- InChIKey
GBHIVGZNBJPXHZ-UHFFFAOYSA-N- Molecular formula
- C19H27NO
- Average molar mass
- 285.4 g/mol
- Monoisotopic mass
- 285.20926449
Names & identifiers
- Preferred name
- 3-[[6,6-Dimethylhept-2-en-4-ynyl(propyl)amino]methyl]phenol
- IUPAC
- 3-[[6,6-dimethylhept-2-en-4-ynyl(propyl)amino]methyl]phenol
Names & synonyms
SCHEMBL9053012
Database identifiers
- PubChem CID
- 53829249
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 379
Related reactions
3 records
Compound notes
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