tert-butyl N-[(1S,2R)-2-(propan-2-ylamino)cyclohexyl]carbamate

C14H28N2O2 — CID 96555526

IUPACtert-butyl N-[(1S,2R)-2-(propan-2-ylamino)cyclohexyl]carbamate
SMILESCC(C)N[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C14H28N2O2/c1-10(2)15-11-8-6-7-9-12(11)16-13(17)18-14(3,4)5/h10-12,15H,6-9H2,1-5H3,(H,16,17)/t11-,12+/m1/s1
InChIKeyNLOZWKJOKIDHPP-NEPJUHHUSA-N
MW256.39 g/mol
LogP2.82
Rot. Bonds3

About tert-butyl N-[(1S,2R)-2-(propan-2-ylamino)cyclohexyl]carbamate

tert-butyl N-[(1S,2R)-2-(propan-2-ylamino)cyclohexyl]carbamate (PubChem CID 96555526) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is tert-butyl N-[(1S,2R)-2-(propan-2-ylamino)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,2R)-2-(propan-2-ylamino)cyclohexyl]carbamate
PubChem CID96555526
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Nametert-butyl N-[(1S,2R)-2-(propan-2-ylamino)cyclohexyl]carbamate
SMILESCC(C)N[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C14H28N2O2/c1-10(2)15-11-8-6-7-9-12(11)16-13(17)18-14(3,4)5/h10-12,15H,6-9H2,1-5H3,(H,16,17)/t11-,12+/m1/s1
InChIKeyNLOZWKJOKIDHPP-NEPJUHHUSA-N
XLogP2.82
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(1-cyclopropylethylamino)cycloheptyl]carbamate
CID 103082516
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cycloheptyl]amino]propanoic acid
CID 107244084
tert-butyl N-[2-[(3-hydroxy-3-methylbutan-2-yl)amino]cyclopentyl]carbamate
CID 107243876
tert-butyl N-[(2S)-2-(methylamino)cyclohexyl]carbamate
CID 163904666
tert-butyl N-[2-(dicyclopropylmethylamino)cyclopentyl]carbamate
CID 107243769
tert-butyl N-[2-(3-methylpentan-2-ylamino)cyclopentyl]carbamate
CID 107243823
tert-butyl N-[2-(2-methylpropylamino)cycloheptyl]carbamate
CID 103082504
tert-butyl N-[(1S,2S)-2-hydroxycyclohexyl]carbamate
CID 10013520
tert-butyl N-[2-(hex-5-en-2-ylamino)cycloheptyl]carbamate
CID 107244173
tert-butyl N-[(1S,2S)-2-(cyclohexylamino)cyclohexyl]carbamate
CID 129409949
tert-butyl N-[2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate
CID 87320947
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid
CID 67452283

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,2R)-2-(propan-2-ylamino)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[(1S,2R)-2-(propan-2-ylamino)cyclohexyl]carbamate (CID 96555526) is tert-butyl N-[(1S,2R)-2-(propan-2-ylamino)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,2R)-2-(propan-2-ylamino)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,2R)-2-(propan-2-ylamino)cyclohexyl]carbamate is CC(C)N[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(1S,2R)-2-(propan-2-ylamino)cyclohexyl]carbamate?
The InChIKey is NLOZWKJOKIDHPP-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-10(2)15-11-8-6-7-9-12(11)16-13(17)18-14(3,4)5/h10-12,15H,6-9H2,1-5H3,(H,16,17)/t11-,12+/m1/s1.
What are the key properties of tert-butyl N-[(1S,2R)-2-(propan-2-ylamino)cyclohexyl]carbamate?
tert-butyl N-[(1S,2R)-2-(propan-2-ylamino)cyclohexyl]carbamate has a molecular weight of 256.39 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,2R)-2-(propan-2-ylamino)cyclohexyl]carbamate is sourced from PubChem (CID 96555526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).