Cas no 820984-55-2 (3-Pyrrolidinamine, N-butyl-N-[(4-methylphenyl)methyl]-)

3-Pyrrolidinamine, N-butyl-N-[(4-methylphenyl)methyl]- structure
820984-55-2 structure
Product Name:3-Pyrrolidinamine, N-butyl-N-[(4-methylphenyl)methyl]-
CAS No:820984-55-2
MF:C16H26N2
MW:246.391044139862
CID:698551
PubChem ID:69061911
Update Time:2025-04-19

3-Pyrrolidinamine, N-butyl-N-[(4-methylphenyl)methyl]- Chemical and Physical Properties

Names and Identifiers

    • 3-Pyrrolidinamine, N-butyl-N-[(4-methylphenyl)methyl]-
    • N-butyl-N-[(4-methylphenyl)methyl]pyrrolidin-3-amine
    • SCHEMBL4486350
    • N-Butyl-N-(4-methylbenzyl)pyrrolidin-3-amine
    • DTXSID50739656
    • 820984-55-2
    • Inchi: 1S/C16H26N2/c1-3-4-11-18(16-9-10-17-12-16)13-15-7-5-14(2)6-8-15/h5-8,16-17H,3-4,9-13H2,1-2H3
    • InChI Key: GOGYHBNAZGAETG-UHFFFAOYSA-N
    • SMILES: N(CC1C=CC(C)=CC=1)(CCCC)C1CNCC1

Computed Properties

  • Exact Mass: 246.209598838g/mol
  • Monoisotopic Mass: 246.209598838g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 6
  • Complexity: 221
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.1
  • Topological Polar Surface Area: 15.3?2
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