(3-amino-2-methylpropyl)dimethylamine

• ChemBase ID: 144133
• Molecular Formular: C6H16N2
• Molecular Mass: 116.20464
• Monoisotopic Mass: 116.13134852
• SMILES: CC(CN)CN(C)C
• Canonical SMILES: NCC(CN(C)C)C
• InChI: InChI=1S/C6H16N2/c1-6(4-7)5-8(2)3/h6H,4-5,7H2,1-3H3
• InChIKey: DAMJSIMZZSEQRD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-amino-2-methylpropyl)dimethylamine
• IUPAC Traditional name: (3-amino-2-methylpropyl)dimethylamine
• Synonyms: (3-Amino-2-methylpropyl)dimethylamine; (3-amino-2-methylpropyl)dimethylamine

Database IDs

• CAS Number: 6105-72-2
• MDL Number: MFCD09864543
• PubChem SID: 162238350
• PubChem CID: 110778

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -6.117725
• LogD (pH = 7.4): -4.030401
• Log P: -0.06753104
• Molar Refractivity: 37.2197 cm^3
• Polarizability: 14.858968 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C6H16N2

DETAILS

Sigma Aldrich - CBR00154

Other Notes
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Legal Information
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