4-heptan-4-ylmorpholine

C11H23NO — CID 3287626

IUPAC4-heptan-4-ylmorpholine
SMILESCCCC(CCC)N1CCOCC1
InChIInChI=1S/C11H23NO/c1-3-5-11(6-4-2)12-7-9-13-10-8-12/h11H,3-10H2,1-2H3
InChIKeyMFGUQVGPAIFEMZ-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.29
Rot. Bonds5

About 4-heptan-4-ylmorpholine

4-heptan-4-ylmorpholine (PubChem CID 3287626) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 4-heptan-4-ylmorpholine.

Molecular Properties

Compound Name4-heptan-4-ylmorpholine
PubChem CID3287626
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name4-heptan-4-ylmorpholine
SMILESCCCC(CCC)N1CCOCC1
InChIInChI=1S/C11H23NO/c1-3-5-11(6-4-2)12-7-9-13-10-8-12/h11H,3-10H2,1-2H3
InChIKeyMFGUQVGPAIFEMZ-UHFFFAOYSA-N
XLogP2.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-Dodecylmorpholine
CID 73764
Dodemorph
CID 61899
4-Butylmorpholine
CID 70499
4-Cyclohexylmorpholine
CID 22938
Morpholine, 4-hexadecyl-
CID 117615
Morpholine, 4-tetradecyl-
CID 117616
4-Pentylmorpholine
CID 200930
4-Hexylmorpholine
CID 3614751
Piperidine, 2-((2-(dimethylamino)ethoxy)methyl)-1-methyl-
CID 3064888
Piperidine, 2-((2-(diethylamino)ethoxy)methyl)-1-methyl-
CID 3087276
4-Decylmorpholine
CID 117617
1-(2-Methoxyethyl)-1-methylpiperidin-1-ium
CID 3095445

Frequently Asked Questions

What is the IUPAC name of 4-heptan-4-ylmorpholine?
The IUPAC name of 4-heptan-4-ylmorpholine (CID 3287626) is 4-heptan-4-ylmorpholine.
What is the SMILES notation for 4-heptan-4-ylmorpholine?
The canonical SMILES for 4-heptan-4-ylmorpholine is CCCC(CCC)N1CCOCC1.
What is the InChIKey of 4-heptan-4-ylmorpholine?
The InChIKey is MFGUQVGPAIFEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-3-5-11(6-4-2)12-7-9-13-10-8-12/h11H,3-10H2,1-2H3.
What are the key properties of 4-heptan-4-ylmorpholine?
4-heptan-4-ylmorpholine has a molecular weight of 185.31 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-heptan-4-ylmorpholine is sourced from PubChem (CID 3287626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).