tert-butyl N-(2-aminoethyl)-N-cyclopropylcarbamate

• ChemBase ID: 268134
• Molecular Formular: C10H20N2O2
• Molecular Mass: 200.278
• Monoisotopic Mass: 200.15247789
• SMILES: C(=O)(N(C1CC1)CCN)OC(C)(C)C
• Canonical SMILES: NCCN(C(=O)OC(C)(C)C)C1CC1
• InChI: InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12(7-6-11)8-4-5-8/h8H,4-7,11H2,1-3H3
• InChIKey: VTPMKZZRRCKGMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-(2-aminoethyl)-N-cyclopropylcarbamate
• IUPAC Traditional name: tert-butyl N-(2-aminoethyl)-N-cyclopropylcarbamate
• Synonyms: tert-butyl N-(2-aminoethyl)-N-cyclopropylcarbamate

Database IDs

• MDL Number: MFCD14627790
• PubChem SID: 164324044
• PubChem CID: 50986373

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1807947
• LogD (pH = 7.4): -0.978919
• Log P: 0.75889534
• Molar Refractivity: 54.8495 cm^3
• Polarizability: 21.854008 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.808

Product Information

• Purity: 95%