N-(thiophen-3-ylmethyl)pyridin-3-amine

• ChemBase ID: 267969
• Molecular Formular: C10H10N2S
• Molecular Mass: 190.2648
• Monoisotopic Mass: 190.05646933
• SMILES: c1(cscc1)CNc1cnccc1
• Canonical SMILES: c1ccc(cn1)NCc1cscc1
• InChI: InChI=1S/C10H10N2S/c1-2-10(7-11-4-1)12-6-9-3-5-13-8-9/h1-5,7-8,12H,6H2
• InChIKey: KWFURRGBEZMQCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(thiophen-3-ylmethyl)pyridin-3-amine
• IUPAC Traditional name: N-(thiophen-3-ylmethyl)pyridin-3-amine
• Synonyms: N-(thiophen-3-ylmethyl)pyridin-3-amine

Database IDs

• MDL Number: MFCD11140123
• PubChem SID: 164323879
• PubChem CID: 28430022

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4957552
• LogD (pH = 7.4): 1.7289487
• Log P: 1.7332666
• Molar Refractivity: 55.8133 cm^3
• Polarizability: 20.648893 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 62 - 64°C
• Hydrophobicity(logP): 2.21

Product Information

• Purity: 95%