2-amino-3-methyl-N-[2-(morpholin-4-yl)ethyl]pentanamide dihydrochloride

• ChemBase ID: 257548
• Molecular Formular: C12H27Cl2N3O2
• Molecular Mass: 316.26768
• Monoisotopic Mass: 315.14803248
• SMILES: C(=O)(C(N)C(CC)C)NCCN1CCOCC1.Cl.Cl
• Canonical SMILES: CCC(C(C(=O)NCCN1CCOCC1)N)C.Cl.Cl
• InChI: InChI=1S/C12H25N3O2.2ClH/c1-3-10(2)11(13)12(16)14-4-5-15-6-8-17-9-7-15;;/h10-11H,3-9,13H2,1-2H3,(H,14,16);2*1H
• InChIKey: LLIHJRRZJDEKLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-3-methyl-N-[2-(morpholin-4-yl)ethyl]pentanamide dihydrochloride
• IUPAC Traditional name: 2-amino-3-methyl-N-[2-(morpholin-4-yl)ethyl]pentanamide dihydrochloride
• Synonyms: 2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide dihydrochloride

Database IDs

• MDL Number: MFCD11505486
• PubChem SID: 164313458
• PubChem CID: 43810708

CALCULATED PROPERTIES

• Acid pKa: 15.840164
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.4229684
• LogD (pH = 7.4): -1.1837445
• Log P: -0.029769905
• Molar Refractivity: 67.9064 cm^3
• Polarizability: 27.059452 Å^3
• Polar Surface Area: 67.59 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.763

Product Information

• Purity: 95%