Basic information
- Standard SMILES
Cc1cc(CCCCN)sc1C1OCCO1- InChIKey
CXQRSVAEQZFSBB-UHFFFAOYSA-N- Molecular formula
- C12H19NO2S
- Average molar mass
- 241.35 g/mol
Names & identifiers
- Preferred name
- 4-[5-(1,3-Dioxolan-2-yl)-4-methyl-2-thienyl]-butanamine
- IUPAC
- 4-[5-(1,3-dioxolan-2-yl)-4-methylthiophen-2-yl]butan-1-amine
Names & synonyms
SCHEMBL10671989CXQRSVAEQZFSBB-UHFFFAOYSA-N4-[5-(1,3-Dioxolan-2-yl)-4-methyl-2-thienyl]-butanamine
Database identifiers
- PubChem CID
- 12926520
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 72.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 209
Related reactions
2 records
Compound notes
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