[2-(morpholin-4-yl)cyclohexyl]methanamine

• ChemBase ID: 270557
• Molecular Formular: C11H22N2O
• Molecular Mass: 198.30518
• Monoisotopic Mass: 198.17321333
• SMILES: N1(C2C(CN)CCCC2)CCOCC1
• Canonical SMILES: NCC1CCCCC1N1CCOCC1
• InChI: InChI=1S/C11H22N2O/c12-9-10-3-1-2-4-11(10)13-5-7-14-8-6-13/h10-11H,1-9,12H2
• InChIKey: RWRJHGLVBDUGIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(morpholin-4-yl)cyclohexyl]methanamine
• IUPAC Traditional name: [2-(morpholin-4-yl)cyclohexyl]methanamine
• Synonyms: [2-(morpholin-4-yl)cyclohexyl]methanamine

Database IDs

• MDL Number: MFCD11632788
• PubChem SID: 164326467
• PubChem CID: 43293329

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.4920983
• LogD (pH = 7.4): -2.3802414
• Log P: 0.6339087
• Molar Refractivity: 58.0358 cm^3
• Polarizability: 23.27968 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.74

Product Information

• Purity: 95%