dimethyl[3-(pyridin-4-yl)propyl]amine

• ChemBase ID: 82872
• Molecular Formular: C10H16N2
• Molecular Mass: 164.24744
• Monoisotopic Mass: 164.13134852
• SMILES: n1ccc(cc1)CCCN(C)C
• Canonical SMILES: CN(CCCc1ccncc1)C
• InChI: InChI=1S/C10H16N2/c1-12(2)9-3-4-10-5-7-11-8-6-10/h5-8H,3-4,9H2,1-2H3
• InChIKey: MVRSMEHVLAYWMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl[3-(pyridin-4-yl)propyl]amine
• IUPAC Traditional name: dimethyl[3-(pyridin-4-yl)propyl]amine
• Synonyms: N1,N1-dimethyl-3-(4-pyridyl)propan-1-amine

Database IDs

• CAS Number: 64262-19-7
• MDL Number: MFCD00203482
• PubChem SID: 162069991
• PubChem CID: 459509

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -2.2908137
• LogD (pH = 7.4): -0.7524538
• Log P: 1.4302
• Molar Refractivity: 51.7998 cm^3
• Polarizability: 20.11207 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true