4-(propan-2-yloxy)cyclohexan-1-amine

• ChemBase ID: 242081
• Molecular Formular: C9H19NO
• Molecular Mass: 157.25326
• Monoisotopic Mass: 157.14666423
• SMILES: O(C1CCC(N)CC1)C(C)C
• Canonical SMILES: CC(OC1CCC(CC1)N)C
• InChI: InChI=1S/C9H19NO/c1-7(2)11-9-5-3-8(10)4-6-9/h7-9H,3-6,10H2,1-2H3
• InChIKey: VIBZEOYMXOCRTD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(propan-2-yloxy)cyclohexan-1-amine
• IUPAC Traditional name: 4-isopropoxycyclohexan-1-amine
• Synonyms: 4-(propan-2-yloxy)cyclohexan-1-amine

Database IDs

• MDL Number: MFCD17220465
• PubChem SID: 164297991
• PubChem CID: 54368474

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8242817
• LogD (pH = 7.4): -1.5368054
• Log P: 1.2036027
• Molar Refractivity: 46.5211 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): 0.694

Product Information

• Purity: 95%