n,5,7,7-Tetramethyloct-1-yn-3-amine
Basic information
- CAS
5413-17-2- Standard SMILES
C#CC(CC(C)CC(C)(C)C)NC- InChIKey
ADWZMUVGRLHOTD-UHFFFAOYSA-N- Molecular formula
- C12H23N
- Average molar mass
- 181.32 g/mol
- Monoisotopic mass
- 181.18304974
Names & identifiers
- Preferred name
- n,5,7,7-Tetramethyloct-1-yn-3-amine
- IUPAC
- N,5,7,7-tetramethyloct-1-yn-3-amine
Names & synonyms
5413-17-2n,5,7,7-tetramethyloct-1-yn-3-amineNSC6416DTXSID60278142NSC-6416
Database identifiers
- CAS
5413-17-2- PubChem CID
- 221561
- DTXSID
DTXSID60278142
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 179
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Compound notes
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