Basic information
- CAS
14527-03-8- Standard SMILES
C#CCN(C)C(C)CC(C)CCC- InChIKey
GFGPHAYTCYPXPP-UHFFFAOYSA-N- Molecular formula
- C12H23N
- Average molar mass
- 181.32 g/mol
- Monoisotopic mass
- 181.18304974
Names & identifiers
- Preferred name
- Hexylamine, N-2-propynyl-N,1,3-trimethyl-
- IUPAC
- N,4-dimethyl-N-prop-2-ynylheptan-2-amine
Names & synonyms
14527-03-8HEXYLAMINE, N-2-PROPYNYL-N,1,3-TRIMETHYL-RefChem:1086681BRN 1856028N-2-Propynyl-N,1,3-trimethylhexylamineDTXSID90932548N,4-Dimethyl-N-(prop-2-yn-1-yl)heptan-2-amine
Database identifiers
- CAS
14527-03-8- PubChem CID
- 26723
- DTXSID
DTXSID90932548
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 165
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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