{2-[2-(dimethylamino)ethoxy]pyridin-4-yl}methanamine

• ChemBase ID: 244721
• Molecular Formular: C10H17N3O
• Molecular Mass: 195.26148
• Monoisotopic Mass: 195.13716218
• SMILES: n1c(cc(CN)cc1)OCCN(C)C
• Canonical SMILES: NCc1ccnc(c1)OCCN(C)C
• InChI: InChI=1S/C10H17N3O/c1-13(2)5-6-14-10-7-9(8-11)3-4-12-10/h3-4,7H,5-6,8,11H2,1-2H3
• InChIKey: WXPHTCBFVUEGGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2-[2-(dimethylamino)ethoxy]pyridin-4-yl}methanamine
• IUPAC Traditional name: {2-[2-(dimethylamino)ethoxy]pyridin-4-yl}methanamine
• Synonyms: {2-[2-(dimethylamino)ethoxy]pyridin-4-yl}methanamine

Database IDs

• MDL Number: MFCD12786416
• PubChem SID: 164300631
• PubChem CID: 61104777

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -5.582252
• LogD (pH = 7.4): -2.6898212
• Log P: 0.33677262
• Molar Refractivity: 57.1703 cm^3
• Polarizability: 22.366634 Å^3
• Polar Surface Area: 51.38 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.516

Product Information

• Purity: 95%