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

• ChemBase ID: 13334
• Molecular Formular: C14H26N2O
• Molecular Mass: 238.36904
• Monoisotopic Mass: 238.20451346
• SMILES: C1=CCCC(C1)CNCCCN1CCOCC1
• Canonical SMILES: C(CCN1CCOCC1)NCC1CCC=CC1
• InChI: InChI=1S/C14H26N2O/c1-2-5-14(6-3-1)13-15-7-4-8-16-9-11-17-12-10-16/h1-2,14-15H,3-13H2
• InChIKey: QDBFOYVRKFPXBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD03446836
• PubChem SID: 160976641
• PubChem CID: 3152141

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.5013528
• LogD (pH = 7.4): -1.6466238
• Log P: 1.4195869
• Molar Refractivity: 73.514 cm^3
• Polarizability: 28.57519 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false