(cyclooctylmethyl)(methyl)amine

• ChemBase ID: 285354
• Molecular Formular: C10H21N
• Molecular Mass: 155.28044
• Monoisotopic Mass: 155.16739968
• SMILES: N(CC1CCCCCCC1)C
• Canonical SMILES: CNCC1CCCCCCC1
• InChI: InChI=1S/C10H21N/c1-11-9-10-7-5-3-2-4-6-8-10/h10-11H,2-9H2,1H3
• InChIKey: VKUSPJXTNFZNKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (cyclooctylmethyl)(methyl)amine
• IUPAC Traditional name: (cyclooctylmethyl)(methyl)amine
• Synonyms: (cyclooctylmethyl)(methyl)amine

Database IDs

• MDL Number: MFCD20731244
• PubChem SID: 180670885
• PubChem CID: 56828145

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.4263557
• LogD (pH = 7.4): -0.14319146
• Log P: 2.810542
• Molar Refractivity: 49.6404 cm^3
• Polarizability: 19.986317 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.25

Product Information

• Purity: 95%