(2-amino-3-methylbutyl)dimethylamine

• ChemBase ID: 257869
• Molecular Formular: C7H18N2
• Molecular Mass: 130.23122
• Monoisotopic Mass: 130.14699859
• SMILES: C(CN(C)C)(N)C(C)C
• Canonical SMILES: CN(CC(C(C)C)N)C
• InChI: InChI=1S/C7H18N2/c1-6(2)7(8)5-9(3)4/h6-7H,5,8H2,1-4H3
• InChIKey: ZKUQESYHKKBVDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-amino-3-methylbutyl)dimethylamine
• IUPAC Traditional name: (2-amino-3-methylbutyl)dimethylamine
• Synonyms: N-(2-amino-3-methylbutyl)-N,N-dimethylamine

Database IDs

• MDL Number: MFCD11155327
• PubChem SID: 164313779
• PubChem CID: 11062422

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.082682
• LogD (pH = 7.4): -1.8758297
• Log P: 0.6972559
• Molar Refractivity: 41.3523 cm^3
• Polarizability: 16.705751 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.914

Product Information

• Purity: 95%