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

• ChemBase ID: 246577
• Molecular Formular: C8H17NO
• Molecular Mass: 143.22668
• Monoisotopic Mass: 143.13101417
• SMILES: C1(CC(N)CCO1)C(C)C
• Canonical SMILES: CC(C1OCCC(C1)N)C
• InChI: InChI=1S/C8H17NO/c1-6(2)8-5-7(9)3-4-10-8/h6-8H,3-5,9H2,1-2H3
• InChIKey: QTKZZBJRJATJQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD19650772
• PubChem SID: 164302487
• PubChem CID: 46785833

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.3861294
• LogD (pH = 7.4): -2.027002
• Log P: 0.63979745
• Molar Refractivity: 41.8087 cm^3
• Polarizability: 16.955612 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.415

Product Information

• Purity: 95%