2-(2,6-dimethylmorpholin-4-yl)-2-methylpropan-1-amine

• ChemBase ID: 252709
• Molecular Formular: C10H22N2O
• Molecular Mass: 186.29448
• Monoisotopic Mass: 186.17321333
• SMILES: N1(C(CN)(C)C)CC(OC(C1)C)C
• Canonical SMILES: NCC(N1CC(C)OC(C1)C)(C)C
• InChI: InChI=1S/C10H22N2O/c1-8-5-12(6-9(2)13-8)10(3,4)7-11/h8-9H,5-7,11H2,1-4H3
• InChIKey: OTOBTLZVXNJQAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,6-dimethylmorpholin-4-yl)-2-methylpropan-1-amine
• IUPAC Traditional name: 2-(2,6-dimethylmorpholin-4-yl)-2-methylpropan-1-amine
• Synonyms: 2-(2,6-dimethylmorpholin-4-yl)-2-methylpropan-1-amine

Database IDs

• MDL Number: MFCD08444502
• PubChem SID: 164308619
• PubChem CID: 16227393

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.2417963
• LogD (pH = 7.4): -1.3811418
• Log P: 0.70498693
• Molar Refractivity: 54.907 cm^3
• Polarizability: 22.168617 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.335

Product Information

• Purity: 95%