N-(oxolan-3-ylmethyl)cyclopropanamine

• ChemBase ID: 257797
• Molecular Formular: C8H15NO
• Molecular Mass: 141.2108
• Monoisotopic Mass: 141.11536411
• SMILES: C1(CC1)NCC1COCC1
• Canonical SMILES: C1OCC(C1)CNC1CC1
• InChI: InChI=1S/C8H15NO/c1-2-8(1)9-5-7-3-4-10-6-7/h7-9H,1-6H2
• InChIKey: XTBAPHZUOIOBDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(oxolan-3-ylmethyl)cyclopropanamine
• IUPAC Traditional name: N-(oxolan-3-ylmethyl)cyclopropanamine
• Synonyms: N-(tetrahydrofuran-3-ylmethyl)cyclopropanamine

Database IDs

• MDL Number: MFCD09040662
• PubChem SID: 164313707
• PubChem CID: 16228723

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.9359787
• LogD (pH = 7.4): -2.3814015
• Log P: 0.29146096
• Molar Refractivity: 40.4983 cm^3
• Polarizability: 16.22448 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.342

Product Information

• Purity: 95%