2-amino-N-(cyclohexylmethyl)-N,2-dimethylpropanamide

• ChemBase ID: 275536
• Molecular Formular: C12H24N2O
• Molecular Mass: 212.33176
• Monoisotopic Mass: 212.1888634
• SMILES: C(=O)(N(CC1CCCCC1)C)C(N)(C)C
• Canonical SMILES: CN(C(=O)C(N)(C)C)CC1CCCCC1
• InChI: InChI=1S/C12H24N2O/c1-12(2,13)11(15)14(3)9-10-7-5-4-6-8-10/h10H,4-9,13H2,1-3H3
• InChIKey: WNYZQXOHVJVHPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(cyclohexylmethyl)-N,2-dimethylpropanamide
• IUPAC Traditional name: 2-amino-N-(cyclohexylmethyl)-N,2-dimethylpropanamide
• Synonyms: 2-amino-N-(cyclohexylmethyl)-N,2-dimethylpropanamide

Database IDs

• MDL Number: MFCD14650735
• PubChem SID: 164331446
• PubChem CID: 54593718

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1719402
• LogD (pH = 7.4): 0.35535556
• Log P: 1.6087474
• Molar Refractivity: 62.5712 cm^3
• Polarizability: 24.838331 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.093

Product Information

• Purity: 95%