Molecule ID: 3052776

IUPAC Name: (1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine

Description: The molecule is an indane that consists of 1-aminoindane bearing an N-propargyl substituent. A selective, irreversible monoamine oxidase-B inhibitor. It has a role as an EC 1.4.3.4 (monoamine oxidase) inhibitor and a neuroprotective agent. It is a secondary amine, a member of indanes and a terminal acetylenic compound.

SMILES: C#CCN[C@@H]1CCc2ccccc21

SELFIES: [C][#C][C][N][C@@H1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2]

InChI: InChI=1S/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/m1/s1

Molecular Properties:
- Polar Surface Area: 12.0 Ų
- LogP: 1.8