tert-butyl N-[(1-aminocyclopentyl)methyl]carbamate

• ChemBase ID: 272567
• Molecular Formular: C11H22N2O2
• Molecular Mass: 214.30458
• Monoisotopic Mass: 214.16812795
• SMILES: C(=O)(NCC1(N)CCCC1)OC(C)(C)C
• Canonical SMILES: O=C(OC(C)(C)C)NCC1(N)CCCC1
• InChI: InChI=1S/C11H22N2O2/c1-10(2,3)15-9(14)13-8-11(12)6-4-5-7-11/h4-8,12H2,1-3H3,(H,13,14)
• InChIKey: JAHRMJAVRFFUPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-[(1-aminocyclopentyl)methyl]carbamate
• IUPAC Traditional name: tert-butyl N-[(1-aminocyclopentyl)methyl]carbamate
• Synonyms: tert-butyl N-[(1-aminocyclopentyl)methyl]carbamate

Database IDs

• MDL Number: MFCD18483181
• PubChem SID: 164328477
• PubChem CID: 52908198

CALCULATED PROPERTIES

• Polarizability: 23.692034 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 15.243533
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.6568801
• LogD (pH = 7.4): -0.8866174
• Log P: 1.3481253
• Molar Refractivity: 59.0444 cm^3

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.049

Product Information

• Purity: 95%