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

• ChemBase ID: 307092
• Molecular Formular: C10H22N2
• Molecular Mass: 170.29508
• Monoisotopic Mass: 170.17829871
• SMILES: N1(CC(C(C)(C)C)N)CCCC1
• Canonical SMILES: NC(C(C)(C)C)CN1CCCC1
• InChI: InChI=1S/C10H22N2/c1-10(2,3)9(11)8-12-6-4-5-7-12/h9H,4-8,11H2,1-3H3
• InChIKey: IWODVMXFHKPVBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3-dimethyl-1-(pyrrolidin-1-yl)butan-2-amine
• IUPAC Traditional name: 3,3-dimethyl-1-(pyrrolidin-1-yl)butan-2-amine
• Synonyms: 3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-amine

Database IDs

• CAS Number: 844882-19-5
• MDL Number: MFCD05856879

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.736898
• LogD (pH = 7.4): -1.5863959
• Log P: 1.4810542
• Molar Refractivity: 53.2914 cm^3
• Polarizability: 21.50448 Å^3
• Polar Surface Area: 29.26 Å^2