3-ethyl-2-(pyrrolidin-1-yl)pentan-1-amine

• ChemBase ID: 254044
• Molecular Formular: C11H24N2
• Molecular Mass: 184.32166
• Monoisotopic Mass: 184.19394878
• SMILES: N1(C(C(CC)CC)CN)CCCC1
• Canonical SMILES: NCC(N1CCCC1)C(CC)CC
• InChI: InChI=1S/C11H24N2/c1-3-10(4-2)11(9-12)13-7-5-6-8-13/h10-11H,3-9,12H2,1-2H3
• InChIKey: JCIYYWWMJRUVEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethyl-2-(pyrrolidin-1-yl)pentan-1-amine
• IUPAC Traditional name: 3-ethyl-2-(pyrrolidin-1-yl)pentan-1-amine
• Synonyms: 3-ethyl-2-pyrrolidin-1-ylpentan-1-amine

Database IDs

• MDL Number: MFCD09413163
• PubChem SID: 164309954
• PubChem CID: 42933680

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.049544
• LogD (pH = 7.4): -1.123507
• Log P: 1.9921907
• Molar Refractivity: 58.0953 cm^3
• Polarizability: 23.35114 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.619

Product Information

• Purity: 95%