[1-(morpholin-4-ylmethyl)cyclohexyl]methanamine

• ChemBase ID: 235838
• Molecular Formular: C12H24N2O
• Molecular Mass: 212.33176
• Monoisotopic Mass: 212.1888634
• SMILES: N1(CC2(CN)CCCCC2)CCOCC1
• Canonical SMILES: NCC1(CCCCC1)CN1CCOCC1
• InChI: InChI=1S/C12H24N2O/c13-10-12(4-2-1-3-5-12)11-14-6-8-15-9-7-14/h1-11,13H2
• InChIKey: QQUJTFAVYFEGLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(morpholin-4-ylmethyl)cyclohexyl]methanamine
• IUPAC Traditional name: [1-(morpholin-4-ylmethyl)cyclohexyl]methanamine
• Synonyms: [1-(morpholin-4-ylmethyl)cyclohexyl]methanamine

Database IDs

• MDL Number: MFCD16700544
• PubChem SID: 164291748
• PubChem CID: 62261667

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.4950125
• LogD (pH = 7.4): -1.4544221
• Log P: 1.0763001
• Molar Refractivity: 62.6379 cm^3
• Polarizability: 25.1236 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.01

Product Information

• Purity: 95%