ethane;(1S)-4-methyl-3-morpholin-4-ylcyclohexan-1-ol;propane

C16H35NO2 — CID 142087291

IUPACethane;(1S)-4-methyl-3-morpholin-4-ylcyclohexan-1-ol;propane
SMILESCC.CC1CC[C@H](O)CC1N1CCOCC1.CCC
InChIInChI=1S/C11H21NO2.C3H8.C2H6/c1-9-2-3-10(13)8-11(9)12-4-6-14-7-5-12;1-3-2;1-2/h9-11,13H,2-8H2,1H3;3H2,1-2H3;1-2H3/t9?,10-,11?;;/m0../s1
InChIKeyDIQODIDKZQLYEB-BPURKXACSA-N
MW273.46 g/mol
LogP3.31
Rot. Bonds1

About ethane;(1S)-4-methyl-3-morpholin-4-ylcyclohexan-1-ol;propane

ethane;(1S)-4-methyl-3-morpholin-4-ylcyclohexan-1-ol;propane (PubChem CID 142087291) has the molecular formula C16H35NO2 and a molecular weight of 273.46 g/mol. Its IUPAC name is ethane;(1S)-4-methyl-3-morpholin-4-ylcyclohexan-1-ol;propane.

Molecular Properties

Compound Nameethane;(1S)-4-methyl-3-morpholin-4-ylcyclohexan-1-ol;propane
PubChem CID142087291
Molecular FormulaC16H35NO2
Molecular Weight273.46 g/mol
Exact Mass273.27
IUPAC Nameethane;(1S)-4-methyl-3-morpholin-4-ylcyclohexan-1-ol;propane
SMILESCC.CC1CC[C@H](O)CC1N1CCOCC1.CCC
InChIInChI=1S/C11H21NO2.C3H8.C2H6/c1-9-2-3-10(13)8-11(9)12-4-6-14-7-5-12;1-3-2;1-2/h9-11,13H,2-8H2,1H3;3H2,1-2H3;1-2H3/t9?,10-,11?;;/m0../s1
InChIKeyDIQODIDKZQLYEB-BPURKXACSA-N
XLogP3.31
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(3S)-3-propoxypiperidin-1-yl]methyl]cyclohexan-1-ol
CID 29254865
3-[(2-Methoxyethyl)(propan-2-yl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490684
3-[(2-Ethoxyethyl)(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490685
3-(2,2-Dimethylmorpholin-4-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490699
3-{Methyl[2-(propan-2-yloxy)ethyl]amino}-4-(trifluoromethyl)cyclohexan-1-ol
CID 165496224
3-[(2-Methoxyethyl)(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165496233
3-[(2-Ethoxyethyl)(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165496315
3-[Ethyl(2-methoxyethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165496316
3-[Methyl(oxan-4-yl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165496326
3-(3,3-Dimethylmorpholin-4-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 165496327
4-Ethyl-3-[(2-fluoroethyl)(2-methoxyethyl)amino]cyclohexan-1-ol
CID 165498064
3-[(2-Fluoroethyl)(2-methoxyethyl)amino]-4-methylcyclohexan-1-ol
CID 165498252

Frequently Asked Questions

What is the IUPAC name of ethane;(1S)-4-methyl-3-morpholin-4-ylcyclohexan-1-ol;propane?
The IUPAC name of ethane;(1S)-4-methyl-3-morpholin-4-ylcyclohexan-1-ol;propane (CID 142087291) is ethane;(1S)-4-methyl-3-morpholin-4-ylcyclohexan-1-ol;propane.
What is the SMILES notation for ethane;(1S)-4-methyl-3-morpholin-4-ylcyclohexan-1-ol;propane?
The canonical SMILES for ethane;(1S)-4-methyl-3-morpholin-4-ylcyclohexan-1-ol;propane is CC.CC1CC[C@H](O)CC1N1CCOCC1.CCC.
What is the InChIKey of ethane;(1S)-4-methyl-3-morpholin-4-ylcyclohexan-1-ol;propane?
The InChIKey is DIQODIDKZQLYEB-BPURKXACSA-N. The full InChI is InChI=1S/C11H21NO2.C3H8.C2H6/c1-9-2-3-10(13)8-11(9)12-4-6-14-7-5-12;1-3-2;1-2/h9-11,13H,2-8H2,1H3;3H2,1-2H3;1-2H3/t9?,10-,11?;;/m0../s1.
What are the key properties of ethane;(1S)-4-methyl-3-morpholin-4-ylcyclohexan-1-ol;propane?
ethane;(1S)-4-methyl-3-morpholin-4-ylcyclohexan-1-ol;propane has a molecular weight of 273.46 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1S)-4-methyl-3-morpholin-4-ylcyclohexan-1-ol;propane is sourced from PubChem (CID 142087291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).