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- ChemComp-RMA: N-[(1S)-2,3-DIHYDRO-1H-INDEN-1-YL]-N-METHYL-N-PROP-2-YNYLAMINE -

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Basic information

EntryDatabase: PDB chemical components / ID: RMA
NameName: N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-N-prop-2-ynylamine
Synonyms: N-METHYL-N-PROPARGYL-1(R)-AMINOINDAN

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Chemical information

Composition
Formula: C13H15N / Number of atoms: 29 / Formula weight: 185.265 / Formal charge: 0
Others

1s3b

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: RMA / Model coordinates PDB-ID: 1S3B
History
Create componentJan 15, 2004
Modify descriptorJun 4, 2011
Modify synonymsMar 1, 2021
External linksUniChem / ChemSpider / BindingDB / Brenda / ChemicalBook / DrugBank / PubChem / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04C#CCN(C)C2c1ccccc1CC2
CACTVS 3.341CN(CC#C)[CH]1CCc2ccccc12
OpenEye OEToolkits 1.5.0CN(CC#C)C1CCc2c1cccc2

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SMILES CANONICAL

CACTVS 3.341CN(CC#C)[C@@H]1CCc2ccccc12
OpenEye OEToolkits 1.5.0CN(CC#C)[C@@H]1CCc2c1cccc2

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InChI

InChI 1.03InChI=1S/C13H15N/c1-3-10-14(2)13-9-8-11-6-4-5-7-12(11)13/h1,4-7,13H,8-10H2,2H3/t13-/m1/s1

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InChIKey

InChI 1.03CSVGVHNFFZWQJU-CYBMUJFWSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(1R)-N-methyl-N-prop-2-yn-1-yl-2,3-dihydro-1H-inden-1-amine
OpenEye OEToolkits 1.5.0(1R)-N-methyl-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine

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PDB entries

Showing all 1 items

PDB-1s3b:
Crystal structure of MAOB in complex with N-methyl-N-propargyl-1(R)-aminoindan

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