N-(thiophen-2-ylmethyl)cyclohexanamine

• ChemBase ID: 292098
• Molecular Formular: C11H17NS
• Molecular Mass: 195.32438
• Monoisotopic Mass: 195.10817055
• SMILES: C1(NCc2cccs2)CCCCC1
• Canonical SMILES: C1CCC(CC1)NCc1cccs1
• InChI: InChI=1S/C11H17NS/c1-2-5-10(6-3-1)12-9-11-7-4-8-13-11/h4,7-8,10,12H,1-3,5-6,9H2
• InChIKey: IUBVIOLKUAZEJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(thiophen-2-ylmethyl)cyclohexanamine
• IUPAC Traditional name: N-(thiophen-2-ylmethyl)cyclohexanamine
• Synonyms: N-(Thiophen-2-ylmethyl)cyclohexanamine

Database IDs

• CAS Number: 51305-86-3
• MDL Number: MFCD04491291
• PubChem SID: 180677629
• PubChem CID: 964334

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.049440544
• LogD (pH = 7.4): 1.0093353
• Log P: 3.2437465
• Molar Refractivity: 57.2101 cm^3
• Polarizability: 22.669067 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%