(3-aminopropoxy)cyclopentane

• ChemBase ID: 265799
• Molecular Formular: C8H17NO
• Molecular Mass: 143.22668
• Monoisotopic Mass: 143.13101417
• SMILES: NCCCOC1CCCC1
• Canonical SMILES: NCCCOC1CCCC1
• InChI: InChI=1S/C8H17NO/c9-6-3-7-10-8-4-1-2-5-8/h8H,1-7,9H2
• InChIKey: FWQQFSANSSOLKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-aminopropoxy)cyclopentane
• IUPAC Traditional name: (3-aminopropoxy)cyclopentane
• Synonyms: (3-aminopropoxy)cyclopentane; 3-(cyclopentyloxy)-1-propanamine

Database IDs

• CAS Number: 2839-90-9
• MDL Number: MFCD09739039
• PubChem SID: 164321709
• PubChem CID: 16792240

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2802327
• LogD (pH = 7.4): -1.8181636
• Log P: 0.74222726
• Molar Refractivity: 42.2409 cm^3
• Polarizability: 16.955612 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.127

Product Information

• Purity: 95%