2-(1-methyl-1H-pyrrol-2-yl)-2-(pyrrolidin-1-yl)ethan-1-amine

• ChemBase ID: 118310
• Molecular Formular: C11H19N3
• Molecular Mass: 193.28866
• Monoisotopic Mass: 193.15789762
• SMILES: c1(C(N2CCCC2)CN)n(ccc1)C
• Canonical SMILES: NCC(c1cccn1C)N1CCCC1
• InChI: InChI=1S/C11H19N3/c1-13-6-4-5-10(13)11(9-12)14-7-2-3-8-14/h4-6,11H,2-3,7-9,12H2,1H3
• InChIKey: WUTQHOXNRYJTGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-methyl-1H-pyrrol-2-yl)-2-(pyrrolidin-1-yl)ethan-1-amine
• IUPAC Traditional name: 2-(1-methylpyrrol-2-yl)-2-(pyrrolidin-1-yl)ethanamine
• Synonyms: [2-(1-methyl-1H-pyrrol-2-yl)-2-pyrrolidin-1-ylethyl]amine

Database IDs

• MDL Number: MFCD21092025
• PubChem SID: 162102774
• PubChem CID: 56724856

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.541473
• LogD (pH = 7.4): -1.2498306
• Log P: 0.80678463
• Molar Refractivity: 59.2947 cm^3
• Polarizability: 23.182549 Å^3
• Polar Surface Area: 34.19 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 0.978

Product Information

• Purity: 95%