[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] morpholine-4-carboxylate

C15H27NO3 — CID 58614610

IUPAC[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] morpholine-4-carboxylate
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)N1CCOCC1
InChIInChI=1S/C15H27NO3/c1-11(2)13-5-4-12(3)10-14(13)19-15(17)16-6-8-18-9-7-16/h11-14H,4-10H2,1-3H3/t12-,13+,14-/m1/s1
InChIKeyOSMGKYGOMMKPIY-HZSPNIEDSA-N
MW269.38 g/mol
LogP2.92
Rot. Bonds2

About [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] morpholine-4-carboxylate

[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] morpholine-4-carboxylate (PubChem CID 58614610) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] morpholine-4-carboxylate.

Molecular Properties

Compound Name[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] morpholine-4-carboxylate
PubChem CID58614610
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] morpholine-4-carboxylate
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)N1CCOCC1
InChIInChI=1S/C15H27NO3/c1-11(2)13-5-4-12(3)10-14(13)19-15(17)16-6-8-18-9-7-16/h11-14H,4-10H2,1-3H3/t12-,13+,14-/m1/s1
InChIKeyOSMGKYGOMMKPIY-HZSPNIEDSA-N
XLogP2.92
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] morpholine-4-carboxylate with MolForge

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Related Compounds

4-Morpholineacetic acid, 5-methyl-2-(1-methylethyl)cyclohexyl ester
CID 3221411
(5-methyl-2-propan-2-ylcyclohexyl) N,N-diethylcarbamate
CID 247656
(5-Methyl-2-propan-2-ylcyclohexyl) morpholine-4-carboxylate
CID 10015916
(5-Methyl-2-propan-2-ylcyclohexyl) piperidine-1-carboxylate
CID 10468204
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] piperidine-1-carboxylate
CID 14709432
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-morpholin-4-yl-2-oxoacetate
CID 25196299
Diethyl-carbamic acid 2,3,6-trimethyl-cyclohexyl ester
CID 49787365
(2,6-Dipropylcyclohexyl) morpholine-4-carboxylate
CID 58534209
[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] N,N-diethylcarbamate
CID 58534256
Diethyl-carbamic acid (1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl ester
CID 58534333
[(1R)-5-methyl-2-propan-2-ylcyclohexyl] N,N-diethylcarbamate
CID 67459444
(5-Methyl-2-propan-2-ylcyclohexyl) 2-morpholin-4-yl-2-oxoacetate
CID 74406171

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] morpholine-4-carboxylate?
The IUPAC name of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] morpholine-4-carboxylate (CID 58614610) is [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] morpholine-4-carboxylate.
What is the SMILES notation for [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] morpholine-4-carboxylate?
The canonical SMILES for [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] morpholine-4-carboxylate is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)N1CCOCC1.
What is the InChIKey of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] morpholine-4-carboxylate?
The InChIKey is OSMGKYGOMMKPIY-HZSPNIEDSA-N. The full InChI is InChI=1S/C15H27NO3/c1-11(2)13-5-4-12(3)10-14(13)19-15(17)16-6-8-18-9-7-16/h11-14H,4-10H2,1-3H3/t12-,13+,14-/m1/s1.
What are the key properties of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] morpholine-4-carboxylate?
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] morpholine-4-carboxylate has a molecular weight of 269.38 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] morpholine-4-carboxylate is sourced from PubChem (CID 58614610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).