3-(1-methyl-1H-indol-3-yl)propan-1-amine , CAS No.32529-03-6

CAS: 32529-03-6 Cat. No.: M669658 Molecular Weight: 188.27 PubChem CID: 3930315

Storage

Room temperature

Specifications

Storage

Room temperature

Product Properties

• ALogP: 1.7

Names and Identifiers

• Canonical Smiles: NCCCC1C2C(=CC=CC=2)N(C)C=1
• IUPAC Name: 3-(1-methylindol-3-yl)propan-1-amine
• InChIKey: IEYWSXZHBDCUQH-UHFFFAOYSA-N
• INCHI: 1S/C12H16N2/c1-14-9-10(5-4-8-13)11-6-2-3-7-12(11)14/h2-3,6-7,9H,4-5,8,13H2,1H3
• Isomeric SMILES: CN1C=C(C2=CC=CC=C21)CCCN
• PubChem CID: 3930315
• Molecular Weight: 188.27

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Indoles and derivatives
      • Subclass Tryptamines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: Tryptamines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tryptamines and derivatives
• Alternative Parents: N-alkylindoles 3-alkylindoles Aralkylamines N-methylpyrroles Benzenoids Heteroaromatic compounds Azacyclic compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Triptan - N-alkylindole - 3-alkylindole - Indole - Aralkylamine - N-methylpyrrole - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Azacycle - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Primary aliphatic amine - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as tryptamines and derivatives. These are compounds containing the tryptamine backbone, which is structurally characterized by an indole ring substituted at the 3-position by an ethanamine.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y