(propan-2-yl)(pyridin-2-ylmethyl)amine

• ChemBase ID: 261109
• Molecular Formular: C9H14N2
• Molecular Mass: 150.22086
• Monoisotopic Mass: 150.11569846
• SMILES: n1c(CNC(C)C)cccc1
• Canonical SMILES: CC(NCc1ccccn1)C
• InChI: InChI=1S/C9H14N2/c1-8(2)11-7-9-5-3-4-6-10-9/h3-6,8,11H,7H2,1-2H3
• InChIKey: YDCNZMOBAPTYRB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (propan-2-yl)(pyridin-2-ylmethyl)amine
• IUPAC Traditional name: isopropyl(pyridin-2-ylmethyl)amine
• Synonyms: propan-2-yl(pyridin-2-ylmethyl)amine

Database IDs

• MDL Number: MFCD08757701
• PubChem SID: 164317019
• PubChem CID: 93874

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7041874
• LogD (pH = 7.4): -0.06780162
• Log P: 1.1687771
• Molar Refractivity: 45.7943 cm^3
• Polarizability: 18.344107 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 155 - 158°C
• Hydrophobicity(logP): 0.851

Product Information

• Purity: 95%