5-(aminomethyl)-N,N-diethylpyridin-2-amine

• ChemBase ID: 48559
• Molecular Formular: C10H17N3
• Molecular Mass: 179.26208
• Monoisotopic Mass: 179.14224756
• SMILES: n1c(N(CC)CC)ccc(c1)CN
• Canonical SMILES: CCN(c1ccc(cn1)CN)CC
• InChI: InChI=1S/C10H17N3/c1-3-13(4-2)10-6-5-9(7-11)8-12-10/h5-6,8H,3-4,7,11H2,1-2H3
• InChIKey: OAYCTPVSIFJJOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(aminomethyl)-N,N-diethylpyridin-2-amine
• IUPAC Traditional name: 5-(aminomethyl)-N,N-diethylpyridin-2-amine
• Synonyms: 5-(Aminomethyl)-N,N-diethyl-2-pyridinamine; 5-(aminomethyl)-N,N-diethylpyridin-2-amine

Database IDs

• MDL Number: MFCD09044973
• PubChem SID: 162053322
• PubChem CID: 16772652

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7025918
• LogD (pH = 7.4): -0.5670287
• Log P: 1.2974591
• Molar Refractivity: 56.6138 cm^3
• Polarizability: 21.309994 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.369

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%