N-Methyl-N-(prop-2-yn-1-yl)octan-2-amine
Basic information
- CAS
14526-99-9- Standard SMILES
C#CCN(C)C(C)CCCCCC- InChIKey
ZIEVEMJNFUFOKC-UHFFFAOYSA-N- Molecular formula
- C12H23N
- Average molar mass
- 181.32 g/mol
- Monoisotopic mass
- 181.18304974
Names & identifiers
- Preferred name
- N-Methyl-N-(prop-2-yn-1-yl)octan-2-amine
- IUPAC
- N-methyl-N-prop-2-ynyloctan-2-amine
Names & synonyms
14526-99-9DTXSID30932547N-methyl-N-(prop-2-yn-1-yl)octan-2-amineRefChem:1091930DTXCID901361236BRN 2239496HEPTYLAMINE, N,1-DIMETHYL-N-2-PROPYNYL-N,1-Dimethyl-N-2-propynylheptylamine
Database identifiers
- CAS
14526-99-9- PubChem CID
- 26722
- DTXSID
DTXSID30932547
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 154
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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