4-methyl-2-(morpholin-4-yl)pentan-1-amine

• ChemBase ID: 253690
• Molecular Formular: C10H22N2O
• Molecular Mass: 186.29448
• Monoisotopic Mass: 186.17321333
• SMILES: N1(C(CC(C)C)CN)CCOCC1
• Canonical SMILES: NCC(N1CCOCC1)CC(C)C
• InChI: InChI=1S/C10H22N2O/c1-9(2)7-10(8-11)12-3-5-13-6-4-12/h9-10H,3-8,11H2,1-2H3
• InChIKey: GTEPLTLZXVWEKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD08444595
• PubChem SID: 164309600
• PubChem CID: 16227973

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.762291
• LogD (pH = 7.4): -1.1483549
• Log P: 0.8453704
• Molar Refractivity: 55.1048 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%