4-({[2-(dimethylamino)ethyl](methyl)amino}methyl)pyridin-2-amine

• ChemBase ID: 235136
• Molecular Formular: C11H20N4
• Molecular Mass: 208.3033
• Monoisotopic Mass: 208.16879666
• SMILES: n1c(cc(CN(CCN(C)C)C)cc1)N
• Canonical SMILES: CN(Cc1ccnc(c1)N)CCN(C)C
• InChI: InChI=1S/C11H20N4/c1-14(2)6-7-15(3)9-10-4-5-13-11(12)8-10/h4-5,8H,6-7,9H2,1-3H3,(H2,12,13)
• InChIKey: HACVLGQEROCQGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-({[2-(dimethylamino)ethyl](methyl)amino}methyl)pyridin-2-amine
• IUPAC Traditional name: 4-({[2-(dimethylamino)ethyl](methyl)amino}methyl)pyridin-2-amine
• Synonyms: 4-({[2-(dimethylamino)ethyl](methyl)amino}methyl)pyridin-2-amine

Database IDs

• MDL Number: MFCD18868426
• PubChem SID: 164291046
• PubChem CID: 63701024

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.3584046
• LogD (pH = 7.4): -1.3379933
• Log P: 0.48114625
• Molar Refractivity: 65.4768 cm^3
• Polarizability: 24.679335 Å^3
• Polar Surface Area: 45.39 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.607

Product Information

• Purity: 95%