2,4-dimethylpentane-1,2-diamine

• ChemBase ID: 274840
• Molecular Formular: C7H18N2
• Molecular Mass: 130.23122
• Monoisotopic Mass: 130.14699859
• SMILES: C(N)(CC(C)C)(CN)C
• Canonical SMILES: NCC(CC(C)C)(N)C
• InChI: InChI=1S/C7H18N2/c1-6(2)4-7(3,9)5-8/h6H,4-5,8-9H2,1-3H3
• InChIKey: JIWVNNBIBQCVCD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dimethylpentane-1,2-diamine
• IUPAC Traditional name: 2,4-dimethylpentane-1,2-diamine
• Synonyms: 2,4-dimethylpentane-1,2-diamine

Database IDs

• MDL Number: MFCD12190250
• PubChem SID: 164330750
• PubChem CID: 3062927

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.2408776
• LogD (pH = 7.4): -2.1873748
• Log P: 0.5288192
• Molar Refractivity: 40.5992 cm^3
• Polarizability: 16.705751 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.143

Product Information

• Purity: 95%