CAS 180683-64-1|CAS 365996-30-1|(1S)-trans-N-Boc-1,2-diaminocyclohexane|(1S,2S)-反式-N-Boc-1,2-环己二胺|(1S,2S)-trans-N-Boc-1,2-cyclohexanediamine|tert-butyl N-[(1S,2S)-2-aminocyclohexyl]carbamate|t...

General Information

Structure

Molecular Formula

C₁₁H₂₂N₂O₂

Molecular Mass

214.30458

Exact Mass

214.16812795

Charge

InChI

InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12/h8-9H,4-7,12H2,1-3H3,(H,13,14)/t8-,9-/m0/s1

InChIKey

AKVIZYGPJIWKOS-IUCAKERBSA-N

Canonic Smiles

O=C(OC(C)(C)C)N[C@H]1CCCC[C@@H]1N

Isomeric Smiles

N([C@H]1CCCC[C@@H]1N)C(=O)OC(C)(C)C

Calculated Properties

JChem

Acid pKa

14.93918

H Acceptors

H Donor

LogD (pH = 5.5)

-1.5006162

LogD (pH = 7.4)

-0.5369859

Log P

1.4841237

Molar Refractivity

58.825

Polarizability

23.692034

Polar Surface Area

64.35

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

(1S)-trans-N-Boc-1,2-diaminocyclohexane(1S,2S)-反式-N-Boc-1,2-环己二胺(1S,2S)-trans-N-Boc-1,2-cyclohexanediamine(1S)-反式-N-Boc-1,2-二氨基环己烷(1S,2R)-1,2-Diaminocyclohexane, N1-BOC protected(1S,2R)-Cyclohexane-1,2-diamine, N1-BOC protectedtert-Butyl ((1S,2S)-2-aminocyclohexyl)carbamatetert-Butyl [(1S,2R)-2-aminocyclohex-1-yl]carbamate

IUPAC Traditional name

tert-butyl N-[(1S,2S)-2-aminocyclohexyl]carbamate

IUPAC name

tert-butyl N-[(1S,2S)-2-aminocyclohexyl]carbamate

Names and Identifiers

Registration numbers

PubChem SID

162042661

PubChem CID

1514391

Beilstein Number

7745537