tert-butyl N-[1-(2-aminoethyl)cyclopropyl]carbamate

• ChemBase ID: 285024
• Molecular Formular: C10H20N2O2
• Molecular Mass: 200.278
• Monoisotopic Mass: 200.15247789
• SMILES: C(=O)(NC1(CC1)CCN)OC(C)(C)C
• Canonical SMILES: NCCC1(CC1)NC(=O)OC(C)(C)C
• InChI: InChI=1S/C10H20N2O2/c1-9(2,3)14-8(13)12-10(4-5-10)6-7-11/h4-7,11H2,1-3H3,(H,12,13)
• InChIKey: BPTZBLNXMXSNFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-[1-(2-aminoethyl)cyclopropyl]carbamate
• IUPAC Traditional name: tert-butyl N-[1-(2-aminoethyl)cyclopropyl]carbamate
• Synonyms: tert-butyl N-[1-(2-aminoethyl)cyclopropyl]carbamate

Database IDs

• MDL Number: MFCD21602485
• PubChem SID: 180670555
• PubChem CID: 12993142

CALCULATED PROPERTIES

• Acid pKa: 14.91876
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.488638
• LogD (pH = 7.4): -1.7515935
• Log P: 0.5189477
• Molar Refractivity: 54.7078 cm^3
• Polarizability: 21.854008 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.26

Product Information

• Purity: 95%