2-(cyclohexylmethoxy)ethan-1-amine

• ChemBase ID: 15378
• Molecular Formular: C9H19NO
• Molecular Mass: 157.25326
• Monoisotopic Mass: 157.14666423
• SMILES: NCCOCC1CCCCC1
• Canonical SMILES: NCCOCC1CCCCC1
• InChI: InChI=1S/C9H19NO/c10-6-7-11-8-9-4-2-1-3-5-9/h9H,1-8,10H2
• InChIKey: AYJJPHRJIYGNAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(cyclohexylmethoxy)ethan-1-amine
• IUPAC Traditional name: 2-(cyclohexylmethoxy)ethanamine
• Synonyms: 2-(Cyclohexylmethoxy)-1-ethanamine

Database IDs

• MDL Number: MFCD06246533
• PubChem SID: 160978685
• PubChem CID: 23302932

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.541261
• LogD (pH = 7.4): -0.5656151
• Log P: 1.4418489
• Molar Refractivity: 46.7073 cm^3
• Polarizability: 18.799707 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false