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

• ChemBase ID: 242106
• Molecular Formular: C8H20N2
• Molecular Mass: 144.2578
• Monoisotopic Mass: 144.16264865
• SMILES: N(CC(N)CC(C)C)CC
• Canonical SMILES: CCNCC(CC(C)C)N
• InChI: InChI=1S/C8H20N2/c1-4-10-6-8(9)5-7(2)3/h7-8,10H,4-6,9H2,1-3H3
• InChIKey: STHNCRSNHHDYTL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12796862
• PubChem SID: 164298016
• PubChem CID: 57134387

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.005167
• LogD (pH = 7.4): -1.9549212
• Log P: 1.0376308
• Molar Refractivity: 45.4842 cm^3
• Polarizability: 18.552586 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.899

Product Information

• Purity: 95%