2-amino-N-(cyclopentylmethyl)-2-methylpropanamide

• ChemBase ID: 241050
• Molecular Formular: C10H20N2O
• Molecular Mass: 184.2786
• Monoisotopic Mass: 184.15756327
• SMILES: C(=O)(NCC1CCCC1)C(N)(C)C
• Canonical SMILES: O=C(C(N)(C)C)NCC1CCCC1
• InChI: InChI=1S/C10H20N2O/c1-10(2,11)9(13)12-7-8-5-3-4-6-8/h8H,3-7,11H2,1-2H3,(H,12,13)
• InChIKey: MDHQVIPXKVGQEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(cyclopentylmethyl)-2-methylpropanamide
• IUPAC Traditional name: 2-amino-N-(cyclopentylmethyl)-2-methylpropanamide
• Synonyms: 2-amino-N-(cyclopentylmethyl)-2-methylpropanamide

Database IDs

• MDL Number: MFCD14608683
• PubChem SID: 164296960
• PubChem CID: 61266758

CALCULATED PROPERTIES

• Acid pKa: 16.007633
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.8431927
• LogD (pH = 7.4): -0.31926554
• Log P: 0.94050264
• Molar Refractivity: 53.0735 cm^3
• Polarizability: 21.152966 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.104

Product Information

• Purity: 95%