methyl[1-(pyridin-3-yl)pentyl]amine

• ChemBase ID: 307972
• Molecular Formular: C11H18N2
• Molecular Mass: 178.27402
• Monoisotopic Mass: 178.14699859
• SMILES: c1(C(NC)CCCC)cnccc1
• Canonical SMILES: CCCCC(c1cccnc1)NC
• InChI: InChI=1S/C11H18N2/c1-3-4-7-11(12-2)10-6-5-8-13-9-10/h5-6,8-9,11-12H,3-4,7H2,1-2H3
• InChIKey: GBQPHDRKFIHLMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[1-(pyridin-3-yl)pentyl]amine
• IUPAC Traditional name: methyl[1-(pyridin-3-yl)pentyl]amine
• Synonyms: N-methyl-1-(3-pyridinyl)-1-pentanamine

Database IDs

• MDL Number: MFCD09971214

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.030098
• LogD (pH = 7.4): 0.07850717
• Log P: 2.142157
• Molar Refractivity: 55.2939 cm^3
• Polarizability: 22.036095 Å^3
• Polar Surface Area: 24.92 Å^2