Basic information
- Standard SMILES
C=C(CC)c1cccc(CN(C)CC=CC#CC(C)(C)C)c1- InChIKey
XSGKXMQDAIEERO-UHFFFAOYSA-N- Molecular formula
- C21H29N
- Average molar mass
- 295.5 g/mol
Names & identifiers
- Preferred name
- N-[(3-but-1-en-2-ylphenyl)methyl]-N,6,6-trimethylhept-2-en-4-yn-1-amine
- IUPAC
- N-[(3-but-1-en-2-ylphenyl)methyl]-N,6,6-trimethylhept-2-en-4-yn-1-amine
Names & synonyms
SCHEMBL6910572
Database identifiers
- PubChem CID
- 73447789
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 438
Related reactions
1 records
Compound notes
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