N-[1-(4-methylpyridin-2-yl)propyl]-3-azaspiro[5.5]undecan-9-amine

• ChemBase ID: 522454
• Molecular Formular: C19H31N3
• Molecular Mass: 301.46954
• Monoisotopic Mass: 301.25179801
• SMILES: c1(nccc(c1)C)C(NC1CCC2(CC1)CCNCC2)CC
• Canonical SMILES: CCC(c1nccc(c1)C)NC1CCC2(CC1)CCNCC2
• InChI: InChI=1S/C19H31N3/c1-3-17(18-14-15(2)6-11-21-18)22-16-4-7-19(8-5-16)9-12-20-13-10-19/h6,11,14,16-17,20,22H,3-5,7-10,12-13H2,1-2H3
• InChIKey: SZDQTFRIJDSRIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(4-methylpyridin-2-yl)propyl]-3-azaspiro[5.5]undecan-9-amine
• IUPAC Traditional name: N-[1-(4-methylpyridin-2-yl)propyl]-3-azaspiro[5.5]undecan-9-amine
• Synonyms: N-[1-(4-methylpyridin-2-yl)propyl]-3-azaspiro[5.5]undecan-9-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.0867152
• LogD (pH = 7.4): -1.2664171
• Log P: 3.2464945
• Molar Refractivity: 91.9541 cm^3
• Polarizability: 36.766907 Å^3
• Polar Surface Area: 36.95 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.05
• LOG S: -1.7
• Polar Surface Area: 36.95 Å^2
• Rotatable Bonds: 4