2,2-dimethyl-N-[3-(pyridin-3-yloxy)propyl]pyrrolidin-3-amine

• ChemBase ID: 703280
• Molecular Formular: C14H23N3O
• Molecular Mass: 249.35192
• Monoisotopic Mass: 249.18411237
• SMILES: C1(NCCC1NCCCOc1cnccc1)(C)C
• Canonical SMILES: CC1(C)NCCC1NCCCOc1cccnc1
• InChI: InChI=1S/C14H23N3O/c1-14(2)13(6-9-17-14)16-8-4-10-18-12-5-3-7-15-11-12/h3,5,7,11,13,16-17H,4,6,8-10H2,1-2H3
• InChIKey: BPXOUVZIMJSDIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-dimethyl-N-[3-(pyridin-3-yloxy)propyl]pyrrolidin-3-amine
• IUPAC Traditional name: 2,2-dimethyl-N-[3-(pyridin-3-yloxy)propyl]pyrrolidin-3-amine
• Synonyms: 2,2-dimethyl-N-[3-(pyridin-3-yloxy)propyl]pyrrolidin-3-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -4.4180393
• LogD (pH = 7.4): -2.5662684
• Log P: 0.5744086
• Molar Refractivity: 72.3021 cm^3
• Polarizability: 29.011333 Å^3
• Polar Surface Area: 46.18 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.53
• LOG S: -1.32
• Polar Surface Area: 46.18 Å^2
• Rotatable Bonds: 6