cyclobutyl(5-methylfuran-2-yl)methanamine

• ChemBase ID: 236083
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: c1(oc(cc1)C)C(C1CCC1)N
• Canonical SMILES: NC(c1ccc(o1)C)C1CCC1
• InChI: InChI=1S/C10H15NO/c1-7-5-6-9(12-7)10(11)8-3-2-4-8/h5-6,8,10H,2-4,11H2,1H3
• InChIKey: YOBDSAAHNPIXCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclobutyl(5-methylfuran-2-yl)methanamine
• IUPAC Traditional name: cyclobutyl(5-methylfuran-2-yl)methanamine
• Synonyms: cyclobutyl(5-methylfuran-2-yl)methanamine

Database IDs

• MDL Number: MFCD16087130
• PubChem SID: 164291993
• PubChem CID: 61714168

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.0605152
• LogD (pH = 7.4): 0.5354325
• Log P: 1.6437352
• Molar Refractivity: 48.2852 cm^3
• Polarizability: 18.958624 Å^3
• Polar Surface Area: 39.16 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.081

Product Information

• Purity: 95%