1-(2,3-dihydro-1H-inden-2-yl)-N-methylpiperidin-3-amine

• ChemBase ID: 483449
• Molecular Formular: C15H22N2
• Molecular Mass: 230.34858
• Monoisotopic Mass: 230.17829871
• SMILES: N1(C2Cc3c(C2)cccc3)CC(NC)CCC1
• Canonical SMILES: CNC1CCCN(C1)C1Cc2c(C1)cccc2
• InChI: InChI=1S/C15H22N2/c1-16-14-7-4-8-17(11-14)15-9-12-5-2-3-6-13(12)10-15/h2-3,5-6,14-16H,4,7-11H2,1H3
• InChIKey: AABMYFLDDQNUME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,3-dihydro-1H-inden-2-yl)-N-methylpiperidin-3-amine
• IUPAC Traditional name: 1-(2,3-dihydro-1H-inden-2-yl)-N-methylpiperidin-3-amine
• Synonyms: 1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3620821
• LogD (pH = 7.4): -0.25982407
• Log P: 2.4041204
• Molar Refractivity: 72.2711 cm^3
• Polarizability: 28.390005 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.48
• LOG S: -1.99
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2