tert-butyl N-methyl-N-[(3-methylazetidin-3-yl)methyl]carbamate

• ChemBase ID: 241036
• Molecular Formular: C11H22N2O2
• Molecular Mass: 214.30458
• Monoisotopic Mass: 214.16812795
• SMILES: C(=O)(N(CC1(CNC1)C)C)OC(C)(C)C
• Canonical SMILES: CN(C(=O)OC(C)(C)C)CC1(C)CNC1
• InChI: InChI=1S/C11H22N2O2/c1-10(2,3)15-9(14)13(5)8-11(4)6-12-7-11/h12H,6-8H2,1-5H3
• InChIKey: PNZOHZRCUPJUMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-methyl-N-[(3-methylazetidin-3-yl)methyl]carbamate
• IUPAC Traditional name: tert-butyl N-methyl-N-[(3-methylazetidin-3-yl)methyl]carbamate
• Synonyms: tert-butyl N-methyl-N-[(3-methylazetidin-3-yl)methyl]carbamate

Database IDs

• MDL Number: MFCD11847932
• PubChem SID: 164296946
• PubChem CID: 53419826

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2281463
• LogD (pH = 7.4): -1.597877
• Log P: 0.99535197
• Molar Refractivity: 59.551 cm^3
• Polarizability: 23.692034 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.307

Product Information

• Purity: 95%