tert-butyl N-(3-aminopropyl)-N-cyclopropylcarbamate

• ChemBase ID: 257099
• Molecular Formular: C11H22N2O2
• Molecular Mass: 214.30458
• Monoisotopic Mass: 214.16812795
• SMILES: C(=O)(N(C1CC1)CCCN)OC(C)(C)C
• Canonical SMILES: NCCCN(C(=O)OC(C)(C)C)C1CC1
• InChI: InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13(8-4-7-12)9-5-6-9/h9H,4-8,12H2,1-3H3
• InChIKey: GZGQZAUMPALUSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-(3-aminopropyl)-N-cyclopropylcarbamate
• IUPAC Traditional name: tert-butyl N-(3-aminopropyl)-N-cyclopropylcarbamate
• Synonyms: tert-butyl 3-aminopropyl(cyclopropyl)carbamate

Database IDs

• MDL Number: MFCD11099577
• PubChem SID: 164313009
• PubChem CID: 39869822

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.189662
• LogD (pH = 7.4): -1.4653195
• Log P: 0.81885505
• Molar Refractivity: 59.7149 cm^3
• Polarizability: 23.692034 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.898

Product Information

• Purity: 95%