2-amino-N-cyclohexyl-N-methylbutanamide

• ChemBase ID: 241967
• Molecular Formular: C11H22N2O
• Molecular Mass: 198.30518
• Monoisotopic Mass: 198.17321333
• SMILES: C(=O)(N(C1CCCCC1)C)C(N)CC
• Canonical SMILES: CCC(C(=O)N(C1CCCCC1)C)N
• InChI: InChI=1S/C11H22N2O/c1-3-10(12)11(14)13(2)9-7-5-4-6-8-9/h9-10H,3-8,12H2,1-2H3
• InChIKey: QJGXUAXCPFJRAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-cyclohexyl-N-methylbutanamide
• IUPAC Traditional name: 2-amino-N-cyclohexyl-N-methylbutanamide
• Synonyms: 2-amino-N-cyclohexyl-N-methylbutanamide

Database IDs

• MDL Number: MFCD12104606
• PubChem SID: 164297877
• PubChem CID: 43649415

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3005538
• LogD (pH = 7.4): 0.3091407
• Log P: 1.3834912
• Molar Refractivity: 57.6511 cm^3
• Polarizability: 22.99533 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.694

Product Information

• Purity: 95%