Basic information
- CAS
1155985-74-2- Standard SMILES
CCCCCC(C)NCc1csc(C)n1- InChIKey
NMTQZBDEOTXACN-UHFFFAOYSA-N- Molecular formula
- C12H22N2S
- Average molar mass
- 226.38 g/mol
- Monoisotopic mass
- 226.15036988
Names & identifiers
- Preferred name
- 2-Methyl-N-(1-methylhexyl)-4-thiazolemethanamine
- IUPAC
- N-[(2-methyl-1,3-thiazol-4-yl)methyl]heptan-2-amine
Names & synonyms
2-Methyl-N-(1-methylhexyl)-4-thiazolemethanamine1155985-74-2DTXSID601238674AKOS009006050N-[(2-methyl-1,3-thiazol-4-yl)methyl]heptan-2-amine
Database identifiers
- CAS
1155985-74-2- PubChem CID
- 43399892
- DTXSID
DTXSID601238674
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 53.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 164
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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