4-(aminomethyl)-N-cyclopropylpyridin-2-amine

• ChemBase ID: 247699
• Molecular Formular: C9H13N3
• Molecular Mass: 163.21962
• Monoisotopic Mass: 163.11094743
• SMILES: c1(NC2CC2)nccc(c1)CN
• Canonical SMILES: NCc1ccnc(c1)NC1CC1
• InChI: InChI=1S/C9H13N3/c10-6-7-3-4-11-9(5-7)12-8-1-2-8/h3-5,8H,1-2,6,10H2,(H,11,12)
• InChIKey: FRBPCIAHMXDUDZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(aminomethyl)-N-cyclopropylpyridin-2-amine
• IUPAC Traditional name: 4-(aminomethyl)-N-cyclopropylpyridin-2-amine
• Synonyms: 4-(aminomethyl)-N-cyclopropylpyridin-2-amine

Database IDs

• MDL Number: MFCD16673900
• PubChem SID: 164303609
• PubChem CID: 62104174

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.6125028
• LogD (pH = 7.4): -1.5422585
• Log P: 0.414142
• Molar Refractivity: 50.093 cm^3
• Polarizability: 18.730549 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 39 - 41°C
• Hydrophobicity(logP): 0.652

Product Information

• Purity: 95%