tert-butyl N-(1-aminopentan-2-yl)carbamate

• ChemBase ID: 240642
• Molecular Formular: C10H22N2O2
• Molecular Mass: 202.29388
• Monoisotopic Mass: 202.16812795
• SMILES: C(=O)(NC(CN)CCC)OC(C)(C)C
• Canonical SMILES: CCCC(NC(=O)OC(C)(C)C)CN
• InChI: InChI=1S/C10H22N2O2/c1-5-6-8(7-11)12-9(13)14-10(2,3)4/h8H,5-7,11H2,1-4H3,(H,12,13)
• InChIKey: LKZBYZJNGSHFDB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-(1-aminopentan-2-yl)carbamate
• IUPAC Traditional name: tert-butyl N-(1-aminopentan-2-yl)carbamate
• Synonyms: tert-butyl N-(1-aminopentan-2-yl)carbamate

Database IDs

• MDL Number: MFCD20308916
• PubChem SID: 164296552
• PubChem CID: 59018979

CALCULATED PROPERTIES

• Acid pKa: 15.141183
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.4919571
• LogD (pH = 7.4): -0.31215042
• Log P: 1.4533207
• Molar Refractivity: 56.2854 cm^3
• Polarizability: 22.577517 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.954

Product Information

• Purity: 95%