2-methylpentane-1,2-diamine

• ChemBase ID: 278313
• Molecular Formular: C6H16N2
• Molecular Mass: 116.20464
• Monoisotopic Mass: 116.13134852
• SMILES: C(N)(CN)(CCC)C
• Canonical SMILES: CCCC(CN)(N)C
• InChI: InChI=1S/C6H16N2/c1-3-4-6(2,8)5-7/h3-5,7-8H2,1-2H3
• InChIKey: XUDPMVLRRITCFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylpentane-1,2-diamine
• IUPAC Traditional name: 2-methylpentane-1,2-diamine
• Synonyms: 2-methylpentane-1,2-diamine

Database IDs

• MDL Number: MFCD12190240
• PubChem SID: 164334223
• PubChem CID: 11170953

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.5302453
• LogD (pH = 7.4): -2.479571
• Log P: 0.24180008
• Molar Refractivity: 36.0506 cm^3
• Polarizability: 14.858968 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.256

Product Information

• Purity: 95%