[1-(thiophen-2-yl)cyclohexyl]methanamine

• ChemBase ID: 118438
• Molecular Formular: C11H17NS
• Molecular Mass: 195.32438
• Monoisotopic Mass: 195.10817055
• SMILES: c1(C2(CN)CCCCC2)sccc1
• Canonical SMILES: NCC1(CCCCC1)c1cccs1
• InChI: InChI=1S/C11H17NS/c12-9-11(6-2-1-3-7-11)10-5-4-8-13-10/h4-5,8H,1-3,6-7,9,12H2
• InChIKey: QVLGCILLMAUJBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(thiophen-2-yl)cyclohexyl]methanamine
• IUPAC Traditional name: [1-(thiophen-2-yl)cyclohexyl]methanamine
• Synonyms: {[1-(2-thienyl)cyclohexyl]methyl}amine; [1-(thiophen-2-yl)cyclohexyl]methanamine

Database IDs

• CAS Number: 767627-74-7
• MDL Number: MFCD09693874
• PubChem SID: 162098482
• PubChem CID: 16494915

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.050567362
• LogD (pH = 7.4): 1.042269
• Log P: 2.9135106
• Molar Refractivity: 57.0468 cm^3
• Polarizability: 22.587923 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.988
• Hydrophobicity(logP): 3.19

Product Information

• Purity: 95%; 95+%