Basic information
- CAS
156205-82-2- Standard SMILES
CCCC(C)NCC1C(O)C(O)C2C(O)CCN12- InChIKey
JWQAHJZHEXWYME-UHFFFAOYSA-N- Molecular formula
- C13H26N2O3
- Average molar mass
- 258.36 g/mol
- Monoisotopic mass
- 258.1943427
Overview
See other relationships...
Names & identifiers
- Preferred name
- 3-{[(Pentan-2-yl)amino]methyl}hexahydro-1H-pyrrolizine-1,2,7-triol
- IUPAC
- 3-[(pentan-2-ylamino)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol
- English name
- 1H-Pyrrolizine-1,2,7-triol, hexahydro-3-(1-methylbutyl)aminomethyl-
- Molecular formula
- C13H26N2O3
- Molecular weight
- 258.36
Names & synonyms
156205-82-2JWQAHJZHEXWYME-UHFFFAOYSA-NDTXSID007009173-{[(Pentan-2-yl)amino]methyl}hexahydro-1H-pyrrolizine-1,2,7-triol1H-Pyrrolizine-1,2,7-triol, hexahydro-3-(1-methylbutyl)aminomethyl-
Database identifiers
- CAS
156205-82-2- PubChem CID
- 53436633
- DTXSID
DTXSID00700917
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 277
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…