2-amino-N-(furan-2-ylmethyl)-N-methylpentanamide hydrochloride

• ChemBase ID: 242891
• Molecular Formular: C11H19ClN2O2
• Molecular Mass: 246.73376
• Monoisotopic Mass: 246.11350554
• SMILES: C(=O)(N(Cc1occc1)C)C(N)CCC.Cl
• Canonical SMILES: CCCC(C(=O)N(Cc1ccco1)C)N.Cl
• InChI: InChI=1S/C11H18N2O2.ClH/c1-3-5-10(12)11(14)13(2)8-9-6-4-7-15-9;/h4,6-7,10H,3,5,8,12H2,1-2H3;1H
• InChIKey: VKJIVJQZKYEHEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(furan-2-ylmethyl)-N-methylpentanamide hydrochloride
• IUPAC Traditional name: 2-amino-N-(furan-2-ylmethyl)-N-methylpentanamide hydrochloride
• Synonyms: 2-amino-N-(furan-2-ylmethyl)-N-methylpentanamide hydrochloride

Database IDs

• MDL Number: MFCD22578536
• PubChem SID: 164298801
• PubChem CID: 71757104

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8661603
• LogD (pH = 7.4): -0.25368598
• Log P: 0.81350905
• Molar Refractivity: 58.2414 cm^3
• Polarizability: 22.818619 Å^3
• Polar Surface Area: 59.47 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.072

Product Information

• Purity: 95%