tert-butyl N-[2-(aminomethyl)cyclopentyl]carbamate

• ChemBase ID: 267459
• Molecular Formular: C11H22N2O2
• Molecular Mass: 214.30458
• Monoisotopic Mass: 214.16812795
• SMILES: C(=O)(NC1C(CN)CCC1)OC(C)(C)C
• Canonical SMILES: NCC1CCCC1NC(=O)OC(C)(C)C
• InChI: InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-9-6-4-5-8(9)7-12/h8-9H,4-7,12H2,1-3H3,(H,13,14)
• InChIKey: HGRDDBPZHZEGNY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-[2-(aminomethyl)cyclopentyl]carbamate
• IUPAC Traditional name: tert-butyl N-[2-(aminomethyl)cyclopentyl]carbamate
• Synonyms: tert-butyl N-[2-(aminomethyl)cyclopentyl]carbamate

Database IDs

• MDL Number: MFCD09263385
• PubChem SID: 164323369
• PubChem CID: 53486461

CALCULATED PROPERTIES

• Acid pKa: 15.280787
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.9245608
• LogD (pH = 7.4): -1.2051467
• Log P: 1.0843096
• Molar Refractivity: 59.164 cm^3
• Polarizability: 23.692034 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 99 - 101°C
• Hydrophobicity(logP): 1.849

Product Information

• Purity: 95%