4-[3-(aminomethyl)pentan-3-yl]morpholine

• ChemBase ID: 284990
• Molecular Formular: C10H22N2O
• Molecular Mass: 186.29448
• Monoisotopic Mass: 186.17321333
• SMILES: N1(C(CN)(CC)CC)CCOCC1
• Canonical SMILES: CCC(N1CCOCC1)(CN)CC
• InChI: InChI=1S/C10H22N2O/c1-3-10(4-2,9-11)12-5-7-13-8-6-12/h3-9,11H2,1-2H3
• InChIKey: VEDYQZVDBFQJDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[3-(aminomethyl)pentan-3-yl]morpholine
• IUPAC Traditional name: 4-[3-(aminomethyl)pentan-3-yl]morpholine
• Synonyms: 4-[3-(aminomethyl)pentan-3-yl]morpholine

Database IDs

• MDL Number: MFCD05201656
• PubChem SID: 180670521
• PubChem CID: 24692881

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.031098
• LogD (pH = 7.4): -1.1567696
• Log P: 0.9168817
• Molar Refractivity: 55.1174 cm^3
• Polarizability: 22.168617 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.435

Product Information

• Purity: 95%