1,7-Trimethylene-2-methyl-3-(beta-aminopropyl)-indole

HCID 603602

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Basic information

Standard SMILES: Cc1c(CC(C)N)c2cccc3c2n1CCC3
InChIKey: QSMNZYBRAMFCAK-UHFFFAOYSA-N
Molecular formula: C15H20N2
Average molar mass: 228.33 g/mol
Monoisotopic mass: 228.16264865

Names & identifiers

Preferred name: 1,7-Trimethylene-2-methyl-3-(beta-aminopropyl)-indole
IUPAC: 1-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)propan-2-amine

Names & synonyms

1,7-Trimethylene-2-methyl-3-(.beta.-aminopropyl)-indoleQSMNZYBRAMFCAK-UHFFFAOYSA-NDTXSID5013621013-(2-AMINOPROPYL)-2-METHYL-1,7-TRIMETHYLENEINDOLE1-(2-Methyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-2-propanamine1-(2-Methyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-2-propanamine #

Database identifiers

PubChem CID: 603602
DTXSID: DTXSID501362101
Nikkaji: J45.427C

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 31 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 17
Formal charge: 0
Complexity: 278

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