(1-amino-4-methylpentan-2-yl)dimethylamine

• ChemBase ID: 253754
• Molecular Formular: C8H20N2
• Molecular Mass: 144.2578
• Monoisotopic Mass: 144.16264865
• SMILES: C(N(C)C)(CC(C)C)CN
• Canonical SMILES: NCC(N(C)C)CC(C)C
• InChI: InChI=1S/C8H20N2/c1-7(2)5-8(6-9)10(3)4/h7-8H,5-6,9H2,1-4H3
• InChIKey: UQFMHTQPKOPGTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-amino-4-methylpentan-2-yl)dimethylamine
• IUPAC Traditional name: (1-amino-4-methylpentan-2-yl)dimethylamine
• Synonyms: N-[1-(aminomethyl)-3-methylbutyl]-N,N-dimethylamine

Database IDs

• MDL Number: MFCD08444513
• PubChem SID: 164309664
• PubChem CID: 16228003

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.822044
• LogD (pH = 7.4): -1.5094784
• Log P: 1.0638708
• Molar Refractivity: 46.0303 cm^3
• Polarizability: 18.552586 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.443

Product Information

• Purity: 95%