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

• ChemBase ID: 282396
• Molecular Formular: C13H26N2O2
• Molecular Mass: 242.35774
• Monoisotopic Mass: 242.19942808
• SMILES: C(=O)(N(C1CCCC1)CCCN)OC(C)(C)C
• Canonical SMILES: NCCCN(C(=O)OC(C)(C)C)C1CCCC1
• InChI: InChI=1S/C13H26N2O2/c1-13(2,3)17-12(16)15(10-6-9-14)11-7-4-5-8-11/h11H,4-10,14H2,1-3H3
• InChIKey: NSRKQLOHZAIWSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-(3-aminopropyl)-N-cyclopentylcarbamate
• IUPAC Traditional name: tert-butyl N-(3-aminopropyl)-N-cyclopentylcarbamate
• Synonyms: tert-butyl N-(3-aminopropyl)-N-cyclopentylcarbamate

Database IDs

• MDL Number: MFCD11102269
• PubChem SID: 180667927
• PubChem CID: 43136805

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3005246
• LogD (pH = 7.4): -0.5761821
• Log P: 1.7079924
• Molar Refractivity: 68.9169 cm^3
• Polarizability: 27.371313 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.016

Product Information

• Purity: 95%