tert-butyl N-(2-amino-2,4-dimethylpentyl)carbamate

• ChemBase ID: 274841
• Molecular Formular: C12H26N2O2
• Molecular Mass: 230.34704
• Monoisotopic Mass: 230.19942808
• SMILES: C(=O)(NCC(N)(CC(C)C)C)OC(C)(C)C
• Canonical SMILES: CC(CC(CNC(=O)OC(C)(C)C)(N)C)C
• InChI: InChI=1S/C12H26N2O2/c1-9(2)7-12(6,13)8-14-10(15)16-11(3,4)5/h9H,7-8,13H2,1-6H3,(H,14,15)
• InChIKey: BUGRYVLNFRVTKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-(2-amino-2,4-dimethylpentyl)carbamate
• IUPAC Traditional name: tert-butyl N-(2-amino-2,4-dimethylpentyl)carbamate
• Synonyms: tert-butyl N-(2-amino-2,4-dimethylpentyl)carbamate

Database IDs

• MDL Number: MFCD18838995
• PubChem SID: 164330751
• PubChem CID: 54593393

CALCULATED PROPERTIES

• Acid pKa: 15.442879
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.9807401
• LogD (pH = 7.4): -0.17113768
• Log P: 2.0209165
• Molar Refractivity: 65.4722 cm^3
• Polarizability: 26.257692 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.752

Product Information

• Purity: 95%