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

• ChemBase ID: 34122
• Molecular Formular: C8H18N2
• Molecular Mass: 142.24192
• Monoisotopic Mass: 142.14699859
• SMILES: C1CCCN1CC(N)(C)C
• Canonical SMILES: CC(CN1CCCC1)(N)C
• InChI: InChI=1S/C8H18N2/c1-8(2,9)7-10-5-3-4-6-10/h3-7,9H2,1-2H3
• InChIKey: MWBKOGAZOXPSCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-1-(pyrrolidin-1-yl)propan-2-amine
• IUPAC Traditional name: 2-methyl-1-(pyrrolidin-1-yl)propan-2-amine
• Synonyms: 1,1-Dimethyl-2-pyrrolidin-1-ylethylamine; 2-methyl-1-(1-pyrrolidinyl)-2-propanamine; (1,1-dimethyl-2-pyrrolidin-1-ylethyl)amine

Database IDs

• CAS Number: 34155-39-0
• MDL Number: MFCD05022422
• PubChem SID: 160997429
• PubChem CID: 2794701

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.9281006
• LogD (pH = 7.4): -2.7849207
• 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

Product Information

• Purity: 95%