[1-(morpholin-4-yl)cycloheptyl]methanamine

• ChemBase ID: 60202
• Molecular Formular: C12H24N2O
• Molecular Mass: 212.33176
• Monoisotopic Mass: 212.1888634
• SMILES: N1(C2(CN)CCCCCC2)CCOCC1
• Canonical SMILES: NCC1(CCCCCC1)N1CCOCC1
• InChI: InChI=1S/C12H24N2O/c13-11-12(5-3-1-2-4-6-12)14-7-9-15-10-8-14/h1-11,13H2
• InChIKey: ZPRFTDXBLRVQJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(morpholin-4-yl)cycloheptyl]methanamine
• IUPAC Traditional name: [1-(morpholin-4-yl)cycloheptyl]methanamine
• Synonyms: 1-(1-morpholin-4-ylcycloheptyl)methanamine; [(1-Morpholin-4-ylcycloheptyl)methyl]amine

Database IDs

• CAS Number: 891638-31-6
• MDL Number: MFCD05201533
• PubChem SID: 162025943
• PubChem CID: 16774192

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.7308204
• LogD (pH = 7.4): -0.7589172
• Log P: 1.3422931
• Molar Refractivity: 62.5172 cm^3
• Polarizability: 25.1236 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