(2S)-2-amino-N-[2-(dimethylamino)ethyl]-4-methylpentanamide

• ChemBase ID: 243967
• Molecular Formular: C10H23N3O
• Molecular Mass: 201.30912
• Monoisotopic Mass: 201.18411237
• SMILES: C(=O)([C@H](CC(C)C)N)NCCN(C)C
• Canonical SMILES: CC(C[C@@H](C(=O)NCCN(C)C)N)C
• InChI: InChI=1S/C10H23N3O/c1-8(2)7-9(11)10(14)12-5-6-13(3)4/h8-9H,5-7,11H2,1-4H3,(H,12,14)/t9-/m0/s1
• InChIKey: DASSCNBCNOVUIY-VIFPVBQESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-amino-N-[2-(dimethylamino)ethyl]-4-methylpentanamide
• IUPAC Traditional name: (2S)-2-amino-N-[2-(dimethylamino)ethyl]-4-methylpentanamide
• Synonyms: (2S)-2-amino-N-[2-(dimethylamino)ethyl]-4-methylpentanamide

Database IDs

• MDL Number: MFCD09724968
• PubChem SID: 164299877
• PubChem CID: 22690995

CALCULATED PROPERTIES

• Acid pKa: 16.14834
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -5.456528
• LogD (pH = 7.4): -2.0953476
• Log P: 0.11077682
• Molar Refractivity: 58.9089 cm^3
• Polarizability: 23.409372 Å^3
• Polar Surface Area: 58.36 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.806

Product Information

• Purity: 95%