(cyclobutylmethyl)(oxolan-2-ylmethyl)amine

• ChemBase ID: 306513
• Molecular Formular: C10H19NO
• Molecular Mass: 169.26396
• Monoisotopic Mass: 169.14666423
• SMILES: O1C(CNCC2CCC2)CCC1
• Canonical SMILES: C1CC(C1)CNCC1CCCO1
• InChI: InChI=1S/C10H19NO/c1-3-9(4-1)7-11-8-10-5-2-6-12-10/h9-11H,1-8H2
• InChIKey: VYNFOTRDWVGIRB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (cyclobutylmethyl)(oxolan-2-ylmethyl)amine
• IUPAC Traditional name: (cyclobutylmethyl)(oxolan-2-ylmethyl)amine
• Synonyms: (cyclobutylmethyl)(tetrahydrofuran-2-ylmethyl)amine

Database IDs

• CAS Number: 356539-88-3
• MDL Number: MFCD03130921

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7762054
• LogD (pH = 7.4): -1.2137411
• Log P: 1.4508564
• Molar Refractivity: 49.4911 cm^3
• Polarizability: 19.910645 Å^3
• Polar Surface Area: 21.26 Å^2