4-cyclohexyl-2-(decan-4-yloxymethyl)morpholine

C21H41NO2 — CID 151057931

IUPAC4-cyclohexyl-2-(decan-4-yloxymethyl)morpholine
SMILESCCCCCCC(CCC)OCC1CN(C2CCCCC2)CCO1
InChIInChI=1S/C21H41NO2/c1-3-5-6-10-14-20(11-4-2)24-18-21-17-22(15-16-23-21)19-12-8-7-9-13-19/h19-21H,3-18H2,1-2H3
InChIKeyMFNVEEGLGPPBQK-UHFFFAOYSA-N
MW339.56 g/mol
LogP5.18
Rot. Bonds11

About 4-cyclohexyl-2-(decan-4-yloxymethyl)morpholine

4-cyclohexyl-2-(decan-4-yloxymethyl)morpholine (PubChem CID 151057931) has the molecular formula C21H41NO2 and a molecular weight of 339.56 g/mol. Its IUPAC name is 4-cyclohexyl-2-(decan-4-yloxymethyl)morpholine.

Molecular Properties

Compound Name4-cyclohexyl-2-(decan-4-yloxymethyl)morpholine
PubChem CID151057931
Molecular FormulaC21H41NO2
Molecular Weight339.56 g/mol
Exact Mass339.31
IUPAC Name4-cyclohexyl-2-(decan-4-yloxymethyl)morpholine
SMILESCCCCCCC(CCC)OCC1CN(C2CCCCC2)CCO1
InChIInChI=1S/C21H41NO2/c1-3-5-6-10-14-20(11-4-2)24-18-21-17-22(15-16-23-21)19-12-8-7-9-13-19/h19-21H,3-18H2,1-2H3
InChIKeyMFNVEEGLGPPBQK-UHFFFAOYSA-N
XLogP5.18
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.56
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(decan-5-yloxymethyl)-4-propan-2-ylmorpholine
CID 151145723
2-(tetradecan-4-yloxymethyl)oxirane
CID 172858851
2-(icosan-9-yloxymethyl)oxirane
CID 19926010
2-(bromomethyl)-4-cyclohexylmorpholine
CID 82937177
(4-cyclohexylmorpholin-2-yl)methanol
CID 83831638
(4-cyclopentylmorpholin-2-yl)methanol
CID 45098591
2-(4-cyclohexylmorpholin-2-yl)ethanamine
CID 82284305
2-(4-cyclohexylmorpholin-2-yl)acetic acid
CID 66433671
methyl 2-(4-cyclopentylmorpholin-2-yl)acetate
CID 115537752
N-[2-(oxan-2-ylmethoxy)pentyl]cyclopropanamine
CID 83045877
2-[4-[1-(oxetan-2-yl)nonan-4-yloxy]nonyl]oxetane
CID 66633096
cyclohexyl-dimethyl-tetradecan-4-yloxysilane
CID 554902

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-2-(decan-4-yloxymethyl)morpholine?
The IUPAC name of 4-cyclohexyl-2-(decan-4-yloxymethyl)morpholine (CID 151057931) is 4-cyclohexyl-2-(decan-4-yloxymethyl)morpholine.
What is the SMILES notation for 4-cyclohexyl-2-(decan-4-yloxymethyl)morpholine?
The canonical SMILES for 4-cyclohexyl-2-(decan-4-yloxymethyl)morpholine is CCCCCCC(CCC)OCC1CN(C2CCCCC2)CCO1.
What is the InChIKey of 4-cyclohexyl-2-(decan-4-yloxymethyl)morpholine?
The InChIKey is MFNVEEGLGPPBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41NO2/c1-3-5-6-10-14-20(11-4-2)24-18-21-17-22(15-16-23-21)19-12-8-7-9-13-19/h19-21H,3-18H2,1-2H3.
What are the key properties of 4-cyclohexyl-2-(decan-4-yloxymethyl)morpholine?
4-cyclohexyl-2-(decan-4-yloxymethyl)morpholine has a molecular weight of 339.56 g/mol, XLogP of 5.18, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-2-(decan-4-yloxymethyl)morpholine is sourced from PubChem (CID 151057931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).