1-(morpholin-4-ylmethyl)cyclohexan-1-amine

• ChemBase ID: 18341
• Molecular Formular: C11H22N2O
• Molecular Mass: 198.30518
• Monoisotopic Mass: 198.17321333
• SMILES: N1(CC2(N)CCCCC2)CCOCC1
• Canonical SMILES: NC1(CCCCC1)CN1CCOCC1
• InChI: InChI=1S/C11H22N2O/c12-11(4-2-1-3-5-11)10-13-6-8-14-9-7-13/h1-10,12H2
• InChIKey: FRCQVIXJQKSHHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(morpholin-4-ylmethyl)cyclohexan-1-amine
• IUPAC Traditional name: 1-(morpholin-4-ylmethyl)cyclohexan-1-amine
• Synonyms: 1-Morpholin-4-ylmethyl-cyclohexylamine; 1-(morpholin-4-ylmethyl)cyclohexanamine

Database IDs

• CAS Number: 883545-37-7
• MDL Number: MFCD08056098
• PubChem SID: 160981648
• PubChem CID: 6484225

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.7039332
• LogD (pH = 7.4): -1.5247263
• Log P: 0.89772445
• Molar Refractivity: 57.9162 cm^3
• Polarizability: 23.27968 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false