N,N-diethyl-1-phenylcyclohexan-1-amine

• ChemBase ID: 127014
• Molecular Formular: C16H25N
• Molecular Mass: 231.3764
• Monoisotopic Mass: 231.19869981
• SMILES: CCN(CC)C1(CCCCC1)c1ccccc1
• Canonical SMILES: CCN(C1(CCCCC1)c1ccccc1)CC
• InChI: InChI=1S/C16H25N/c1-3-17(4-2)16(13-9-6-10-14-16)15-11-7-5-8-12-15/h5,7-8,11-12H,3-4,6,9-10,13-14H2,1-2H3
• InChIKey: GRHWLIMQOFAGHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-diethyl-1-phenylcyclohexan-1-amine
• IUPAC Traditional name: dieticyclidine
• Synonyms: Dieticyclidine

Database IDs

• CAS Number: 2201-19-6
• PubChem SID: 162221337
• PubChem CID: 604690
• Chemspider ID: 525655
• Wikipedia Title: Dieticyclidine

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.8614401
• LogD (pH = 7.4): 1.3463836
• Log P: 4.351298
• Molar Refractivity: 75.0017 cm^3
• Polarizability: 29.625294 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true