N-(propan-2-yl)oxan-4-amine

• ChemBase ID: 278338
• Molecular Formular: C8H17NO
• Molecular Mass: 143.22668
• Monoisotopic Mass: 143.13101417
• SMILES: N(C1CCOCC1)C(C)C
• Canonical SMILES: CC(NC1CCOCC1)C
• InChI: InChI=1S/C8H17NO/c1-7(2)9-8-3-5-10-6-4-8/h7-9H,3-6H2,1-2H3
• InChIKey: ABKJVDAMVQXXSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(propan-2-yl)oxan-4-amine
• IUPAC Traditional name: N-isopropyloxan-4-amine
• Synonyms: N-(propan-2-yl)oxan-4-amine

Database IDs

• MDL Number: MFCD08059250
• PubChem SID: 164334248
• PubChem CID: 21709941

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6936731
• LogD (pH = 7.4): -2.3527584
• Log P: 0.5416906
• Molar Refractivity: 42.3363 cm^3
• Polarizability: 16.955612 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.048

Product Information

• Purity: 95%