methyl[3-(pyrrolidin-1-yl)butyl]amine

• ChemBase ID: 306604
• Molecular Formular: C9H20N2
• Molecular Mass: 156.2685
• Monoisotopic Mass: 156.16264865
• SMILES: N1(C(CCNC)C)CCCC1
• Canonical SMILES: CNCCC(N1CCCC1)C
• InChI: InChI=1S/C9H20N2/c1-9(5-6-10-2)11-7-3-4-8-11/h9-10H,3-8H2,1-2H3
• InChIKey: OXVWEKVYYQQSFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[3-(pyrrolidin-1-yl)butyl]amine
• IUPAC Traditional name: methyl[3-(pyrrolidin-1-yl)butyl]amine
• Synonyms: N-methyl-3-pyrrolidin-1-ylbutan-1-amine

Database IDs

• CAS Number: 1177352-54-3
• MDL Number: MFCD09055196

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.538921
• LogD (pH = 7.4): -3.5492117
• Log P: 0.7080983
• Molar Refractivity: 49.5377 cm^3
• Polarizability: 19.657892 Å^3
• Polar Surface Area: 15.27 Å^2