(3-amino-2-methylpropyl)(ethyl)methylamine

• ChemBase ID: 33351
• Molecular Formular: C7H18N2
• Molecular Mass: 130.23122
• Monoisotopic Mass: 130.14699859
• SMILES: N(CC(CN)C)(CC)C
• Canonical SMILES: NCC(CN(CC)C)C
• InChI: InChI=1S/C7H18N2/c1-4-9(3)6-7(2)5-8/h7H,4-6,8H2,1-3H3
• InChIKey: SICIHXOPFHRGOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-amino-2-methylpropyl)(ethyl)methylamine
• IUPAC Traditional name: (3-amino-2-methylpropyl)(ethyl)methylamine
• Synonyms: N-(3-Amino-2-methylpropyl)-N-ethyl-N-methylamine; (3-amino-2-methylpropyl)ethyl(methyl)amine

Database IDs

• CAS Number: 1060817-17-5
• MDL Number: MFCD11053930
• PubChem SID: 160996658
• PubChem CID: 25219171

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.380586
• LogD (pH = 7.4): -3.279667
• Log P: 0.2892769
• Molar Refractivity: 41.9683 cm^3
• Polarizability: 16.705751 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false