Basic information
- CAS
1248112-77-7- Standard SMILES
CCC(C)C(C)(NC)c1nc2c(s1)CCC2- InChIKey
POPUIQHYYKSAGI-UHFFFAOYSA-N- Molecular formula
- C13H22N2S
- Average molar mass
- 238.39 g/mol
- Monoisotopic mass
- 238.15036988
Names & identifiers
- Preferred name
- 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N,3-dimethylpentan-2-amine
- IUPAC
- 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N,3-dimethylpentan-2-amine
Names & synonyms
DTXSID001136614AKOS0105852892-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N,3-dimethylpentan-2-amine5,6-Dihydro-N,I+/--dimethyl-I+/--(1-methylpropyl)-4H-cyclopentathiazole-2-methanamine1248112-77-7
Database identifiers
- CAS
1248112-77-7- PubChem CID
- 61330581
- DTXSID
DTXSID001136614
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 53.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 246
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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