(cyclohex-3-en-1-ylmethyl)[2-(morpholin-4-yl)ethyl]amine

• ChemBase ID: 13398
• Molecular Formular: C13H24N2O
• Molecular Mass: 224.34246
• Monoisotopic Mass: 224.1888634
• SMILES: C1=CCCC(C1)CNCCN1CCOCC1
• Canonical SMILES: O1CCN(CC1)CCNCC1CCC=CC1
• InChI: InChI=1S/C13H24N2O/c1-2-4-13(5-3-1)12-14-6-7-15-8-10-16-11-9-15/h1-2,13-14H,3-12H2
• InChIKey: LTTZZFLHFAMTIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (cyclohex-3-en-1-ylmethyl)[2-(morpholin-4-yl)ethyl]amine
• IUPAC Traditional name: (cyclohex-3-en-1-ylmethyl)[2-(morpholin-4-yl)ethyl]amine
• Synonyms: Cyclohex-3-enylmethyl-(2-morpholin-4-yl-ethyl)-amine

Database IDs

• MDL Number: MFCD03724748
• PubChem SID: 160976705
• PubChem CID: 3152374

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.9103727
• LogD (pH = 7.4): -1.4345282
• Log P: 1.3596272
• Molar Refractivity: 68.6486 cm^3
• Polarizability: 26.730122 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false