(2-amino-4-methylpentyl)(methyl)amine

• ChemBase ID: 244440
• Molecular Formular: C7H18N2
• Molecular Mass: 130.23122
• Monoisotopic Mass: 130.14699859
• SMILES: N(CC(N)CC(C)C)C
• Canonical SMILES: CNCC(CC(C)C)N
• InChI: InChI=1S/C7H18N2/c1-6(2)4-7(8)5-9-3/h6-7,9H,4-5,8H2,1-3H3
• InChIKey: RUXHHYJZWCQYGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-amino-4-methylpentyl)(methyl)amine
• IUPAC Traditional name: (2-amino-4-methylpentyl)(methyl)amine
• Synonyms: (2-amino-4-methylpentyl)(methyl)amine

Database IDs

• MDL Number: MFCD12796826
• PubChem SID: 164300350
• PubChem CID: 19855310

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.334262
• LogD (pH = 7.4): -2.2570832
• Log P: 0.6808229
• Molar Refractivity: 40.7356 cm^3
• Polarizability: 16.705751 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.37

Product Information

• Purity: 95%