3-ethyl-2-(morpholin-4-yl)pentan-1-amine

• ChemBase ID: 253748
• Molecular Formular: C11H24N2O
• Molecular Mass: 200.32106
• Monoisotopic Mass: 200.1888634
• SMILES: N1(C(C(CC)CC)CN)CCOCC1
• Canonical SMILES: NCC(N1CCOCC1)C(CC)CC
• InChI: InChI=1S/C11H24N2O/c1-3-10(4-2)11(9-12)13-5-7-14-8-6-13/h10-11H,3-9,12H2,1-2H3
• InChIKey: JUMTWIVSFPSIQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethyl-2-(morpholin-4-yl)pentan-1-amine
• IUPAC Traditional name: 3-ethyl-2-(morpholin-4-yl)pentan-1-amine
• Synonyms: 3-ethyl-2-morpholin-4-ylpentan-1-amine

Database IDs

• MDL Number: MFCD09388783
• PubChem SID: 164309658
• PubChem CID: 16228000

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.466892
• LogD (pH = 7.4): -0.65006316
• Log P: 1.3678927
• Molar Refractivity: 59.6288 cm^3
• Polarizability: 24.013033 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.964

Product Information

• Purity: 95%