4-[4-[1-(3-propan-2-ylcyclohexyl)propan-2-yl]cyclohexyl]morpholine

C22H41NO — CID 139390358

IUPAC4-[4-[1-(3-propan-2-ylcyclohexyl)propan-2-yl]cyclohexyl]morpholine
SMILESCC(C)C1CCCC(CC(C)C2CCC(N3CCOCC3)CC2)C1
InChIInChI=1S/C22H41NO/c1-17(2)21-6-4-5-19(16-21)15-18(3)20-7-9-22(10-8-20)23-11-13-24-14-12-23/h17-22H,4-16H2,1-3H3
InChIKeyDVDFGHOKUUHXHE-UHFFFAOYSA-N
MW335.58 g/mol
LogP5.37
Rot. Bonds5

About 4-[4-[1-(3-propan-2-ylcyclohexyl)propan-2-yl]cyclohexyl]morpholine

4-[4-[1-(3-propan-2-ylcyclohexyl)propan-2-yl]cyclohexyl]morpholine (PubChem CID 139390358) has the molecular formula C22H41NO and a molecular weight of 335.58 g/mol. Its IUPAC name is 4-[4-[1-(3-propan-2-ylcyclohexyl)propan-2-yl]cyclohexyl]morpholine.

Molecular Properties

Compound Name4-[4-[1-(3-propan-2-ylcyclohexyl)propan-2-yl]cyclohexyl]morpholine
PubChem CID139390358
Molecular FormulaC22H41NO
Molecular Weight335.58 g/mol
Exact Mass335.32
IUPAC Name4-[4-[1-(3-propan-2-ylcyclohexyl)propan-2-yl]cyclohexyl]morpholine
SMILESCC(C)C1CCCC(CC(C)C2CCC(N3CCOCC3)CC2)C1
InChIInChI=1S/C22H41NO/c1-17(2)21-6-4-5-19(16-21)15-18(3)20-7-9-22(10-8-20)23-11-13-24-14-12-23/h17-22H,4-16H2,1-3H3
InChIKeyDVDFGHOKUUHXHE-UHFFFAOYSA-N
XLogP5.37
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.58
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[4-[1-(3-propan-2-ylcyclohexyl)propan-2-yl]cyclohexyl]morpholine with MolForge

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Related Compounds

Adamantane, 2-(4-morpholyl)
CID 64373
4-(4-Tert-butylcyclohexyl)morpholine
CID 742685
4-(4-Methylcyclohexyl)morpholine
CID 870789
4-(4-Tert-butylcyclohexyl)-2,6-dimethylmorpholine
CID 2846696
4-(4-Ethylcyclohexyl)morpholine
CID 756963
2,6-Dimethyl-4-[2-methyl-3-(6-methyl-decahydro-naphthalen-2-yl)-propyl]-morpholine
CID 14255075
(2S)-2-methyl-4-[2-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]ethyl]morpholine
CID 124624964
4-(4-Propan-2-ylcyclohexyl)morpholine;1,1,1-trifluoroethane
CID 177029774
1-(2,6-Dimethylmorpholin-4-yl)-2-methyl-3-(decahydronaphth-2-yl)-propane
CID 14125799
2,6-Dimethyl-4-[4-(2-cyclohexylprop-2-yl)-cyclohexyl]-morpholine
CID 14303135
2,6-Dimethyl-4-[4-(2,4,4-trimethylpentan-2-yl)cyclohexyl]morpholine
CID 14303136
2-[2-[Dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azaniumyl]ethoxy]ethyl-dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azanium
CID 48826

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(3-propan-2-ylcyclohexyl)propan-2-yl]cyclohexyl]morpholine?
The IUPAC name of 4-[4-[1-(3-propan-2-ylcyclohexyl)propan-2-yl]cyclohexyl]morpholine (CID 139390358) is 4-[4-[1-(3-propan-2-ylcyclohexyl)propan-2-yl]cyclohexyl]morpholine.
What is the SMILES notation for 4-[4-[1-(3-propan-2-ylcyclohexyl)propan-2-yl]cyclohexyl]morpholine?
The canonical SMILES for 4-[4-[1-(3-propan-2-ylcyclohexyl)propan-2-yl]cyclohexyl]morpholine is CC(C)C1CCCC(CC(C)C2CCC(N3CCOCC3)CC2)C1.
What is the InChIKey of 4-[4-[1-(3-propan-2-ylcyclohexyl)propan-2-yl]cyclohexyl]morpholine?
The InChIKey is DVDFGHOKUUHXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41NO/c1-17(2)21-6-4-5-19(16-21)15-18(3)20-7-9-22(10-8-20)23-11-13-24-14-12-23/h17-22H,4-16H2,1-3H3.
What are the key properties of 4-[4-[1-(3-propan-2-ylcyclohexyl)propan-2-yl]cyclohexyl]morpholine?
4-[4-[1-(3-propan-2-ylcyclohexyl)propan-2-yl]cyclohexyl]morpholine has a molecular weight of 335.58 g/mol, XLogP of 5.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(3-propan-2-ylcyclohexyl)propan-2-yl]cyclohexyl]morpholine is sourced from PubChem (CID 139390358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).