2-methyl-2-(pyrrolidin-1-yl)propan-1-amine

• ChemBase ID: 55162
• Molecular Formular: C8H18N2
• Molecular Mass: 142.24192
• Monoisotopic Mass: 142.14699859
• SMILES: N1(CCCC1)C(CN)(C)C
• Canonical SMILES: NCC(N1CCCC1)(C)C
• InChI: InChI=1S/C8H18N2/c1-8(2,7-9)10-5-3-4-6-10/h3-7,9H2,1-2H3
• InChIKey: GVGRFFLFCVMJOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-2-(pyrrolidin-1-yl)propan-1-amine
• IUPAC Traditional name: 2-methyl-2-(pyrrolidin-1-yl)propan-1-amine
• Synonyms: (2-Methyl-2-pyrrolidin-1-ylpropyl)amine

Database IDs

• MDL Number: MFCD05201589
• PubChem SID: 162059925
• PubChem CID: 9161357

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.775461
• LogD (pH = 7.4): -2.691199
• Log P: 0.49613482
• Molar Refractivity: 44.5359 cm^3
• Polarizability: 17.811394 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false