[3-(dimethylamino)propyl](pyridin-2-ylmethyl)amine

• ChemBase ID: 13565
• Molecular Formular: C11H19N3
• Molecular Mass: 193.28866
• Monoisotopic Mass: 193.15789762
• SMILES: C(CCNCc1ncccc1)N(C)C
• Canonical SMILES: CN(CCCNCc1ccccn1)C
• InChI: InChI=1S/C11H19N3/c1-14(2)9-5-7-12-10-11-6-3-4-8-13-11/h3-4,6,8,12H,5,7,9-10H2,1-2H3
• InChIKey: PHNGOQUFEMIIAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(dimethylamino)propyl](pyridin-2-ylmethyl)amine
• IUPAC Traditional name: [3-(dimethylamino)propyl](pyridin-2-ylmethyl)amine
• Synonyms: N,N-Dimethyl-N'-pyridin-2-ylmethyl-propane-1,3-diamine

Database IDs

• MDL Number: MFCD01595441
• PubChem SID: 160976872
• PubChem CID: 1947924

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.170492
• LogD (pH = 7.4): -1.9150428
• Log P: 0.47399837
• Molar Refractivity: 59.5114 cm^3
• Polarizability: 23.556833 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