{1-[2-(morpholin-4-yl)ethyl]pyrrolidin-3-yl}methanamine

• ChemBase ID: 116535
• Molecular Formular: C11H23N3O
• Molecular Mass: 213.31982
• Monoisotopic Mass: 213.18411237
• SMILES: N1(CC(CC1)CN)CCN1CCOCC1
• Canonical SMILES: NCC1CCN(C1)CCN1CCOCC1
• InChI: InChI=1S/C11H23N3O/c12-9-11-1-2-14(10-11)4-3-13-5-7-15-8-6-13/h11H,1-10,12H2
• InChIKey: GAOQIWJEVUOIFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {1-[2-(morpholin-4-yl)ethyl]pyrrolidin-3-yl}methanamine
• IUPAC Traditional name: {1-[2-(morpholin-4-yl)ethyl]pyrrolidin-3-yl}methanamine
• Synonyms: {1-[2-(4-Morpholinyl)ethyl]-3-pyrrolidinyl}methanamine; [1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methylamine

Database IDs

• MDL Number: MFCD09942312
• PubChem SID: 162101573
• PubChem CID: 24703103

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -6.467173
• LogD (pH = 7.4): -4.2712874
• Log P: -0.7409198
• Molar Refractivity: 62.5817 cm^3
• Polarizability: 24.80531 Å^3
• Polar Surface Area: 41.73 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: -0.929
• Hydrophobicity(logP): -1.243

Product Information

• Purity: 95%; 95+%