[2-amino-1-(pyridin-3-yl)ethyl]dimethylamine

• ChemBase ID: 76187
• Molecular Formular: C9H15N3
• Molecular Mass: 165.2355
• Monoisotopic Mass: 165.1265975
• SMILES: N(C(c1cccnc1)CN)(C)C
• Canonical SMILES: NCC(c1cccnc1)N(C)C
• InChI: InChI=1S/C9H15N3/c1-12(2)9(6-10)8-4-3-5-11-7-8/h3-5,7,9H,6,10H2,1-2H3
• InChIKey: PEQPPVGTDBKQPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-amino-1-(pyridin-3-yl)ethyl]dimethylamine
• IUPAC Traditional name: [2-amino-1-(pyridin-3-yl)ethyl]dimethylamine
• Synonyms: [2-amino-1-(pyridin-3-yl)ethyl]dimethylamine; (2-amino-1-(3-pyridyl)ethyl)dimethylamine

Database IDs

• MDL Number: MFCD01631935
• PubChem SID: 162041095
• PubChem CID: 3864338

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.6091967
• LogD (pH = 7.4): -1.6042062
• Log P: -0.040246584
• Molar Refractivity: 50.0638 cm^3
• Polarizability: 19.862774 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.184

Product Information

• Purity: 95%