Molecule ID: 21363276

IUPAC Name: 1-[2-[1-(2-aminopropoxy)propan-2-yloxy]ethoxy]propan-2-amine

Description: The molecule is a diamine in which two primary amino groups are at either end of what is essentially a poly(ethylene glycol) (PEG)backbone, consisting of blocks of ethylene oxide and propylene oxide. In the diagram, m ~ 39,; (l + n) ~ 6. The compound is one of a series of related compounds commonly used to crystallise proteins. It has a role as a crystallisation adjutant. It is a jeffamine diamine, a diamine and a polyether.

SMILES: CC(N)COCCOC(C)COCC(C)N

SELFIES: [C][C][Branch1][C][N][C][O][C][C][O][C][Branch1][C][C][C][O][C][C][Branch1][C][C][N]

InChI: InChI=1S/C11H26N2O3/c1-9(12)6-14-4-5-16-11(3)8-15-7-10(2)13/h9-11H,4-8,12-13H2,1-3H3

Molecular Properties:
- Polar Surface Area: 79.7 Ų
- LogP: -0.8