1-(pyridin-3-yl)pentan-1-amine

• ChemBase ID: 307971
• Molecular Formular: C10H16N2
• Molecular Mass: 164.24744
• Monoisotopic Mass: 164.13134852
• SMILES: c1(C(N)CCCC)cnccc1
• Canonical SMILES: CCCCC(c1cccnc1)N
• InChI: InChI=1S/C10H16N2/c1-2-3-6-10(11)9-5-4-7-12-8-9/h4-5,7-8,10H,2-3,6,11H2,1H3
• InChIKey: FPBYBHDBWKITIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyridin-3-yl)pentan-1-amine
• IUPAC Traditional name: 1-(pyridin-3-yl)pentan-1-amine
• Synonyms: 1-(3-pyridinyl)-1-pentanamine

Database IDs

• CAS Number: 343271-89-6
• MDL Number: MFCD09864470

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2742105
• LogD (pH = 7.4): -0.28885642
• Log P: 1.7095766
• Molar Refractivity: 50.5193 cm^3
• Polarizability: 20.189428 Å^3
• Polar Surface Area: 38.91 Å^2