tert-butyl N-[(1R,3R)-3-aminocyclohexyl]carbamate

• ChemBase ID: 309164
• Molecular Formular: C11H22N2O2
• Molecular Mass: 214.30458
• Monoisotopic Mass: 214.16812795
• SMILES: C(=O)(N[C@H]1C[C@H](N)CCC1)OC(C)(C)C
• Canonical SMILES: N[C@@H]1CCC[C@H](C1)NC(=O)OC(C)(C)C
• InChI: InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-9-6-4-5-8(12)7-9/h8-9H,4-7,12H2,1-3H3,(H,13,14)/t8-,9-/m1/s1
• InChIKey: OBSACSBMTRJNPH-RKDXNWHRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-[(1R,3R)-3-aminocyclohexyl]carbamate
• IUPAC Traditional name: tert-butyl N-[(1R,3R)-3-aminocyclohexyl]carbamate
• Synonyms: tert-butyl rac-[(1R,3R)-3-aminocyclohexyl]carbamate

Database IDs

• CAS Number: 609788-04-7

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.9193171
• LogD (pH = 7.4): -1.3713347
• Log P: 1.0995147
• Molar Refractivity: 59.0894 cm^3
• Polarizability: 23.692034 Å^3
• Polar Surface Area: 64.35 Å^2