Basic information
- Standard SMILES
CC(C)(N)C#CCCOCCCc1ccccc1- InChIKey
CKWGTMAJQZVCTD-UHFFFAOYSA-N- Molecular formula
- C16H23NO
- Average molar mass
- 245.36 g/mol
Names & identifiers
- Preferred name
- 1,1-Dimethyl-5-(3-phenylpropoxy)-2-pentynamine
- IUPAC
- 2-methyl-6-(3-phenylpropoxy)hex-3-yn-2-amine
Names & synonyms
SCHEMBL9574147CKWGTMAJQZVCTD-UHFFFAOYSA-N1,1-Dimethyl-5-(3-phenylpropoxy)-2-pentynamine
Database identifiers
- PubChem CID
- 13747243
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 278
Related reactions
4 records
Compound notes
Loading…