1-[2-(morpholin-4-yl)ethyl]pyrrolidin-3-amine

• ChemBase ID: 275511
• Molecular Formular: C10H21N3O
• Molecular Mass: 199.29324
• Monoisotopic Mass: 199.16846231
• SMILES: N1(CC(CC1)N)CCN1CCOCC1
• Canonical SMILES: NC1CCN(C1)CCN1CCOCC1
• InChI: InChI=1S/C10H21N3O/c11-10-1-2-13(9-10)4-3-12-5-7-14-8-6-12/h10H,1-9,11H2
• InChIKey: YSJBORPQZDYBPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(morpholin-4-yl)ethyl]pyrrolidin-3-amine
• IUPAC Traditional name: 1-[2-(morpholin-4-yl)ethyl]pyrrolidin-3-amine
• Synonyms: 1-[2-(morpholin-4-yl)ethyl]pyrrolidin-3-amine

Database IDs

• MDL Number: MFCD11894458
• PubChem SID: 164331421
• PubChem CID: 54593709

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -5.692603
• LogD (pH = 7.4): -3.3372731
• Log P: -0.8584684
• Molar Refractivity: 57.5981 cm^3
• Polarizability: 22.962423 Å^3
• Polar Surface Area: 41.73 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.963

Product Information

• Purity: 95%