N-(cyclohexylmethyl)pyrazin-2-amine

• ChemBase ID: 242466
• Molecular Formular: C11H17N3
• Molecular Mass: 191.27278
• Monoisotopic Mass: 191.14224756
• SMILES: c1(nccnc1)NCC1CCCCC1
• Canonical SMILES: C1CCC(CC1)CNc1nccnc1
• InChI: InChI=1S/C11H17N3/c1-2-4-10(5-3-1)8-14-11-9-12-6-7-13-11/h6-7,9-10H,1-5,8H2,(H,13,14)
• InChIKey: QWZLTQDQONXPFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(cyclohexylmethyl)pyrazin-2-amine
• IUPAC Traditional name: N-(cyclohexylmethyl)pyrazin-2-amine
• Synonyms: N-(cyclohexylmethyl)pyrazin-2-amine

Database IDs

• MDL Number: MFCD12165987
• PubChem SID: 164298376
• PubChem CID: 43215345

CALCULATED PROPERTIES

• Acid pKa: 19.041403
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.7192662
• LogD (pH = 7.4): 1.7194179
• Log P: 1.7194198
• Molar Refractivity: 57.9965 cm^3
• Polarizability: 21.836382 Å^3
• Polar Surface Area: 37.81 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.149

Product Information

• Purity: 95%