N-(3-methylbutyl)-3-nitropyridin-2-amine

• ChemBase ID: 309868
• Molecular Formular: C10H15N3O2
• Molecular Mass: 209.245
• Monoisotopic Mass: 209.11642674
• SMILES: [N+](=O)(c1c(nccc1)NCCC(C)C)[O-]
• Canonical SMILES: CC(CCNc1ncccc1[N+](=O)[O-])C
• InChI: InChI=1S/C10H15N3O2/c1-8(2)5-7-12-10-9(13(14)15)4-3-6-11-10/h3-4,6,8H,5,7H2,1-2H3,(H,11,12)
• InChIKey: QFXYPDMYRQXCQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-methylbutyl)-3-nitropyridin-2-amine
• IUPAC Traditional name: N-(3-methylbutyl)-3-nitropyridin-2-amine
• Synonyms: N-(3-methylbutyl)-3-nitro-2-pyridinamine

Database IDs

• MDL Number: MFCD11121758

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.0235894
• LogD (pH = 7.4): 3.0237098
• Log P: 3.0237114
• Molar Refractivity: 59.1511 cm^3
• Polarizability: 21.660587 Å^3
• Polar Surface Area: 68.06 Å^2