[3,3-dimethyl-1-(pyrrolidin-1-yl)butan-2-yl](methyl)amine

• ChemBase ID: 799844
• Molecular Formular: C11H24N2
• Molecular Mass: 184.32166
• Monoisotopic Mass: 184.19394878
• SMILES: N(C)C(C(C)(C)C)CN1CCCC1
• Canonical SMILES: CNC(C(C)(C)C)CN1CCCC1
• InChI: InChI=1S/C11H24N2/c1-11(2,3)10(12-4)9-13-7-5-6-8-13/h10,12H,5-9H2,1-4H3
• InChIKey: LJLVINSPTFHSKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3,3-dimethyl-1-(pyrrolidin-1-yl)butan-2-yl](methyl)amine
• IUPAC Traditional name: [3,3-dimethyl-1-(pyrrolidin-1-yl)butan-2-yl](methyl)amine
• Synonyms: (2,2-Dimethyl-1-pyrrolidin-1-ylmethyl-propyl)-methyl-amine

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.5300987
• LogD (pH = 7.4): -1.3591093
• Log P: 1.9136347
• Molar Refractivity: 58.066 cm^3
• Polarizability: 23.35114 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%