[3-(dimethylamino)propyl](pyridin-3-ylmethyl)amine

• ChemBase ID: 13566
• Molecular Formular: C11H19N3
• Molecular Mass: 193.28866
• Monoisotopic Mass: 193.15789762
• SMILES: C(CCNCc1cnccc1)N(C)C
• Canonical SMILES: CN(CCCNCc1cccnc1)C
• InChI: InChI=1S/C11H19N3/c1-14(2)8-4-7-13-10-11-5-3-6-12-9-11/h3,5-6,9,13H,4,7-8,10H2,1-2H3
• InChIKey: CFERMQFPVPIPKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(dimethylamino)propyl](pyridin-3-ylmethyl)amine
• IUPAC Traditional name: [3-(dimethylamino)propyl](pyridin-3-ylmethyl)amine
• Synonyms: N,N-Dimethyl-N'-pyridin-3-ylmethyl-propane-1,3-diamine

Database IDs

• MDL Number: MFCD03856655
• PubChem SID: 160976873
• PubChem CID: 3154232

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.7980313
• LogD (pH = 7.4): -2.3162203
• Log P: 0.39252648
• Molar Refractivity: 60.0336 cm^3
• Polarizability: 23.555967 Å^3
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false