1-(3-propoxypiperidine-1-carbonyl)cyclopropan-1-amine

• ChemBase ID: 421179
• Molecular Formular: C12H22N2O2
• Molecular Mass: 226.31528
• Monoisotopic Mass: 226.16812795
• SMILES: C1(C(=O)N2CC(OCCC)CCC2)(CC1)N
• Canonical SMILES: CCCOC1CCCN(C1)C(=O)C1(N)CC1
• InChI: InChI=1S/C12H22N2O2/c1-2-8-16-10-4-3-7-14(9-10)11(15)12(13)5-6-12/h10H,2-9,13H2,1H3
• InChIKey: LYSZAZZIDJTDKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-propoxypiperidine-1-carbonyl)cyclopropan-1-amine
• IUPAC Traditional name: 1-(3-propoxypiperidine-1-carbonyl)cyclopropan-1-amine
• Synonyms: 1-[(3-propoxypiperidin-1-yl)carbonyl]cyclopropanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.0958726
• LogD (pH = 7.4): -0.43579522
• Log P: 0.48456502
• Molar Refractivity: 62.3973 cm^3
• Polarizability: 24.80672 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: -0.04
• LOG S: -2.13
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 4