2-(2-methylpropyl)oxan-4-amine

• ChemBase ID: 247570
• Molecular Formular: C9H19NO
• Molecular Mass: 157.25326
• Monoisotopic Mass: 157.14666423
• SMILES: O1C(CC(N)CC1)CC(C)C
• Canonical SMILES: CC(CC1OCCC(C1)N)C
• InChI: InChI=1S/C9H19NO/c1-7(2)5-9-6-8(10)3-4-11-9/h7-9H,3-6,10H2,1-2H3
• InChIKey: HJVRJOCKISGMLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methylpropyl)oxan-4-amine
• IUPAC Traditional name: 2-(2-methylpropyl)oxan-4-amine
• Synonyms: 2-(2-methylpropyl)oxan-4-amine

Database IDs

• MDL Number: MFCD19650767
• PubChem SID: 164303480
• PubChem CID: 64104920

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0195196
• LogD (pH = 7.4): -1.6605617
• Log P: 1.0064124
• Molar Refractivity: 46.4867 cm^3
• Polarizability: 18.799707 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.944

Product Information

• Purity: 95%