N-(cyclopropylmethyl)pyridin-3-amine

• ChemBase ID: 240262
• Molecular Formular: C9H12N2
• Molecular Mass: 148.20498
• Monoisotopic Mass: 148.10004839
• SMILES: C1(CC1)CNc1cnccc1
• Canonical SMILES: c1ccc(cn1)NCC1CC1
• InChI: InChI=1S/C9H12N2/c1-2-9(7-10-5-1)11-6-8-3-4-8/h1-2,5,7-8,11H,3-4,6H2
• InChIKey: OCUWBOKLVYIWDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(cyclopropylmethyl)pyridin-3-amine
• IUPAC Traditional name: N-(cyclopropylmethyl)pyridin-3-amine
• Synonyms: N-(cyclopropylmethyl)pyridin-3-amine

Database IDs

• MDL Number: MFCD09026309
• PubChem SID: 164296172
• PubChem CID: 16244143

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.70451826
• LogD (pH = 7.4): 1.0026942
• Log P: 1.0089288
• Molar Refractivity: 46.0369 cm^3
• Polarizability: 17.211243 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.089

Product Information

• Purity: 95%