N-(3-aminopropyl)-N-methylpyridin-2-amine

• ChemBase ID: 257730
• Molecular Formular: C9H15N3
• Molecular Mass: 165.2355
• Monoisotopic Mass: 165.1265975
• SMILES: c1(ncccc1)N(CCCN)C
• Canonical SMILES: NCCCN(c1ccccn1)C
• InChI: InChI=1S/C9H15N3/c1-12(8-4-6-10)9-5-2-3-7-11-9/h2-3,5,7H,4,6,8,10H2,1H3
• InChIKey: BYNUACNSLSSKPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-aminopropyl)-N-methylpyridin-2-amine
• IUPAC Traditional name: N-(3-aminopropyl)-N-methylpyridin-2-amine
• Synonyms: N-(3-aminopropyl)-N-methyl-N-pyridin-2-ylamine; N-(3-AMINOPROPYL)-N-METHYLPYRIDIN-2-AMINE

Database IDs

• CAS Number: 93234-94-7
• MDL Number: MFCD10697848
• PubChem SID: 164313640
• PubChem CID: 20262876

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.1981266
• LogD (pH = 7.4): -1.6515535
• Log P: 0.7210507
• Molar Refractivity: 51.4584 cm^3
• Polarizability: 19.469364 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.062

Product Information

• Purity: 95%; 98%