tert-butyl N-[5-(ethylamino)pentyl]carbamate

• ChemBase ID: 75148
• Molecular Formular: C12H26N2O2
• Molecular Mass: 230.34704
• Monoisotopic Mass: 230.19942808
• SMILES: N(CC)CCCCCNC(=O)OC(C)(C)C
• Canonical SMILES: CCNCCCCCNC(=O)OC(C)(C)C
• InChI: InChI=1S/C12H26N2O2/c1-5-13-9-7-6-8-10-14-11(15)16-12(2,3)4/h13H,5-10H2,1-4H3,(H,14,15)
• InChIKey: HSYFFBMGEABTLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-[5-(ethylamino)pentyl]carbamate
• IUPAC Traditional name: tert-butyl N-[5-(ethylamino)pentyl]carbamate
• Synonyms: tert-Butyl 5-(ethylamino)pentylcarbamate 95%

Database IDs

• MDL Number: MFCD07776964
• PubChem SID: 162040066
• PubChem CID: 26369702

CALCULATED PROPERTIES

• Acid pKa: 16.258682
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.3554159
• LogD (pH = 7.4): -1.050713
• Log P: 1.8809341
• Molar Refractivity: 66.3758 cm^3
• Polarizability: 26.257692 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Keep Cold