4-[(2-ethylmorpholin-4-yl)methyl]oxane-4-carbaldehyde

C13H23NO3 — CID 55066133

IUPAC4-[(2-ethylmorpholin-4-yl)methyl]oxane-4-carbaldehyde
SMILESCCC1CN(CC2(C=O)CCOCC2)CCO1
InChIInChI=1S/C13H23NO3/c1-2-12-9-14(5-8-17-12)10-13(11-15)3-6-16-7-4-13/h11-12H,2-10H2,1H3
InChIKeyLQUWRJCOGYYFJI-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.09
Rot. Bonds4

About 4-[(2-ethylmorpholin-4-yl)methyl]oxane-4-carbaldehyde

4-[(2-ethylmorpholin-4-yl)methyl]oxane-4-carbaldehyde (PubChem CID 55066133) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-[(2-ethylmorpholin-4-yl)methyl]oxane-4-carbaldehyde.

Molecular Properties

Compound Name4-[(2-ethylmorpholin-4-yl)methyl]oxane-4-carbaldehyde
PubChem CID55066133
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name4-[(2-ethylmorpholin-4-yl)methyl]oxane-4-carbaldehyde
SMILESCCC1CN(CC2(C=O)CCOCC2)CCO1
InChIInChI=1S/C13H23NO3/c1-2-12-9-14(5-8-17-12)10-13(11-15)3-6-16-7-4-13/h11-12H,2-10H2,1H3
InChIKeyLQUWRJCOGYYFJI-UHFFFAOYSA-N
XLogP1.09
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-ethylpiperidin-1-yl)methyl]oxane-4-carbaldehyde
CID 55066134
[4-[(2-ethylmorpholin-4-yl)methyl]oxan-4-yl]methanol
CID 55067295
1-[[2-(hydroxymethyl)morpholin-4-yl]methyl]cyclohexane-1-carbaldehyde
CID 81212922
4-[(3,4-dimethylpyrrolidin-1-yl)methyl]oxane-4-carbaldehyde
CID 79183741
4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]oxane-4-carbaldehyde
CID 55217181
3-[(2-ethylmorpholin-4-yl)methyl]oxolan-3-amine
CID 64893246
4-(pyrrolidin-1-ylmethyl)oxane-4-carbaldehyde
CID 62391613
1-[(2-methylmorpholin-4-yl)methyl]cyclohexane-1-carbaldehyde
CID 62276743
N-[[4-[(2-ethylmorpholin-4-yl)methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62391826
2,4-diethylmorpholine
CID 58988021
4-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]oxane-4-carbaldehyde
CID 106837702
4-[(3-propoxypiperidin-1-yl)methyl]oxane-4-carbaldehyde
CID 62391625

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethylmorpholin-4-yl)methyl]oxane-4-carbaldehyde?
The IUPAC name of 4-[(2-ethylmorpholin-4-yl)methyl]oxane-4-carbaldehyde (CID 55066133) is 4-[(2-ethylmorpholin-4-yl)methyl]oxane-4-carbaldehyde.
What is the SMILES notation for 4-[(2-ethylmorpholin-4-yl)methyl]oxane-4-carbaldehyde?
The canonical SMILES for 4-[(2-ethylmorpholin-4-yl)methyl]oxane-4-carbaldehyde is CCC1CN(CC2(C=O)CCOCC2)CCO1.
What is the InChIKey of 4-[(2-ethylmorpholin-4-yl)methyl]oxane-4-carbaldehyde?
The InChIKey is LQUWRJCOGYYFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-2-12-9-14(5-8-17-12)10-13(11-15)3-6-16-7-4-13/h11-12H,2-10H2,1H3.
What are the key properties of 4-[(2-ethylmorpholin-4-yl)methyl]oxane-4-carbaldehyde?
4-[(2-ethylmorpholin-4-yl)methyl]oxane-4-carbaldehyde has a molecular weight of 241.33 g/mol, XLogP of 1.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethylmorpholin-4-yl)methyl]oxane-4-carbaldehyde is sourced from PubChem (CID 55066133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).