[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-ethylcarbamate

C13H25NO2 — CID 92975131

IUPAC[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-ethylcarbamate
SMILESCCNC(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C
InChIInChI=1S/C13H25NO2/c1-5-14-13(15)16-12-8-10(4)6-7-11(12)9(2)3/h9-12H,5-8H2,1-4H3,(H,14,15)/t10-,11-,12-/m1/s1
InChIKeyJQFDIOKZPWALRI-IJLUTSLNSA-N
MW227.35 g/mol
LogP3.19
Rot. Bonds3

About [(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-ethylcarbamate

[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-ethylcarbamate (PubChem CID 92975131) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is [(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-ethylcarbamate.

Molecular Properties

Compound Name[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-ethylcarbamate
PubChem CID92975131
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-ethylcarbamate
SMILESCCNC(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C
InChIInChI=1S/C13H25NO2/c1-5-14-13(15)16-12-8-10(4)6-7-11(12)9(2)3/h9-12H,5-8H2,1-4H3,(H,14,15)/t10-,11-,12-/m1/s1
InChIKeyJQFDIOKZPWALRI-IJLUTSLNSA-N
XLogP3.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-butylcarbamate
CID 58534266
[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] N-pentylcarbamate
CID 58715353
[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] N-(2-hydroxyethyl)carbamate
CID 46893858
(5-methyl-2-propan-2-ylcyclohexyl) 2-(ethylamino)-2-oxoacetate
CID 25196076
(5-methyl-2-propan-2-ylcyclohexyl) N-octylcarbamate
CID 91726626
3-[(5-methyl-2-propan-2-ylcyclohexyl)oxycarbonylamino]propanoic acid
CID 152767217
bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] propanedioate
CID 14226058
[(2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] N-cyclohexylcarbamate
CID 54670369
(5-methyl-2-propan-2-ylcyclohexyl) N-carbamoylcarbamate
CID 121007431
[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 3-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxycarbonylamino]propyl carbonate
CID 58534203
(5-methyl-2-propan-2-ylcyclohexyl) N-(oxolan-2-ylmethyl)carbamate
CID 46892051
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-(oxolan-2-ylmethyl)carbamate
CID 46892726

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-ethylcarbamate?
The IUPAC name of [(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-ethylcarbamate (CID 92975131) is [(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-ethylcarbamate.
What is the SMILES notation for [(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-ethylcarbamate?
The canonical SMILES for [(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-ethylcarbamate is CCNC(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C.
What is the InChIKey of [(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-ethylcarbamate?
The InChIKey is JQFDIOKZPWALRI-IJLUTSLNSA-N. The full InChI is InChI=1S/C13H25NO2/c1-5-14-13(15)16-12-8-10(4)6-7-11(12)9(2)3/h9-12H,5-8H2,1-4H3,(H,14,15)/t10-,11-,12-/m1/s1.
What are the key properties of [(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-ethylcarbamate?
[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-ethylcarbamate has a molecular weight of 227.35 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-ethylcarbamate is sourced from PubChem (CID 92975131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).