methyl[1-(pyridin-4-yl)propyl]amine

• ChemBase ID: 277479
• Molecular Formular: C9H14N2
• Molecular Mass: 150.22086
• Monoisotopic Mass: 150.11569846
• SMILES: n1ccc(C(NC)CC)cc1
• Canonical SMILES: CCC(c1ccncc1)NC
• InChI: InChI=1S/C9H14N2/c1-3-9(10-2)8-4-6-11-7-5-8/h4-7,9-10H,3H2,1-2H3
• InChIKey: LOFCJGPTBIGJGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[1-(pyridin-4-yl)propyl]amine
• IUPAC Traditional name: methyl[1-(pyridin-4-yl)propyl]amine
• Synonyms: methyl[1-(pyridin-4-yl)propyl]amine

Database IDs

• MDL Number: MFCD12154260
• PubChem SID: 164333389
• PubChem CID: 21019753

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.9294055
• LogD (pH = 7.4): -0.88275725
• Log P: 1.2530197
• Molar Refractivity: 46.0919 cm^3
• Polarizability: 18.342487 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.851

Product Information

• Purity: 95%