[(1R,2R)-2-aminocyclohexyl] carbamate

C7H14N2O2 — CID 145235379

IUPAC[(1R,2R)-2-aminocyclohexyl] carbamate
SMILESNC(=O)O[C@@H]1CCCC[C@H]1N
InChIInChI=1S/C7H14N2O2/c8-5-3-1-2-4-6(5)11-7(9)10/h5-6H,1-4,8H2,(H2,9,10)/t5-,6-/m1/s1
InChIKeyIQNKSDAFUZKPMM-PHDIDXHHSA-N
MW158.20 g/mol
LogP0.35
Rot. Bonds1

About [(1R,2R)-2-aminocyclohexyl] carbamate

[(1R,2R)-2-aminocyclohexyl] carbamate (PubChem CID 145235379) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is [(1R,2R)-2-aminocyclohexyl] carbamate.

Molecular Properties

Compound Name[(1R,2R)-2-aminocyclohexyl] carbamate
PubChem CID145235379
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name[(1R,2R)-2-aminocyclohexyl] carbamate
SMILESNC(=O)O[C@@H]1CCCC[C@H]1N
InChIInChI=1S/C7H14N2O2/c8-5-3-1-2-4-6(5)11-7(9)10/h5-6H,1-4,8H2,(H2,9,10)/t5-,6-/m1/s1
InChIKeyIQNKSDAFUZKPMM-PHDIDXHHSA-N
XLogP0.35
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-aminocyclohexyl) hydrogen carbonate;hydrochloride
CID 171616826
(2-methylcyclohexyl) carbamate
CID 45090963
[(1S,2S)-2-aminocyclohexyl] propanoate
CID 67429872
[(1R,2S)-2-aminocyclohexyl] ethyl carbonate
CID 70041811
[(1R,2S)-2-hydroxycyclopentyl] carbamate
CID 175128754
(2-aminocyclopentyl) 2-methylpropanoate
CID 162779526
(4-aminooxolan-3-yl) carbamate
CID 90426775
[(1S,2S)-2-iodocyclopentyl] carbamate
CID 138651300
[(1S,2R)-2-amino-5,5-difluorocyclohexyl] carbamate
CID 175009016
[(1R,2S)-2-amino-3,3-difluorocyclohexyl] carbamate
CID 175007115
[(1R,2R)-2-methylcyclopropyl] carbamate
CID 171719227
carbamoyl 2-aminocyclohexane-1-carboxylate
CID 91289585

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-aminocyclohexyl] carbamate?
The IUPAC name of [(1R,2R)-2-aminocyclohexyl] carbamate (CID 145235379) is [(1R,2R)-2-aminocyclohexyl] carbamate.
What is the SMILES notation for [(1R,2R)-2-aminocyclohexyl] carbamate?
The canonical SMILES for [(1R,2R)-2-aminocyclohexyl] carbamate is NC(=O)O[C@@H]1CCCC[C@H]1N.
What is the InChIKey of [(1R,2R)-2-aminocyclohexyl] carbamate?
The InChIKey is IQNKSDAFUZKPMM-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H14N2O2/c8-5-3-1-2-4-6(5)11-7(9)10/h5-6H,1-4,8H2,(H2,9,10)/t5-,6-/m1/s1.
What are the key properties of [(1R,2R)-2-aminocyclohexyl] carbamate?
[(1R,2R)-2-aminocyclohexyl] carbamate has a molecular weight of 158.20 g/mol, XLogP of 0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-aminocyclohexyl] carbamate is sourced from PubChem (CID 145235379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).