2-ethyl-6-heptylmorpholine

C13H27NO — CID 65122672

IUPAC2-ethyl-6-heptylmorpholine
SMILESCCCCCCCC1CNCC(CC)O1
InChIInChI=1S/C13H27NO/c1-3-5-6-7-8-9-13-11-14-10-12(4-2)15-13/h12-14H,3-11H2,1-2H3
InChIKeyNJCCUUWNKKXPDG-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.11
Rot. Bonds7

About 2-ethyl-6-heptylmorpholine

2-ethyl-6-heptylmorpholine (PubChem CID 65122672) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-ethyl-6-heptylmorpholine.

Molecular Properties

Compound Name2-ethyl-6-heptylmorpholine
PubChem CID65122672
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-ethyl-6-heptylmorpholine
SMILESCCCCCCCC1CNCC(CC)O1
InChIInChI=1S/C13H27NO/c1-3-5-6-7-8-9-13-11-14-10-12(4-2)15-13/h12-14H,3-11H2,1-2H3
InChIKeyNJCCUUWNKKXPDG-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,5R)-2,5-di(pentadecyl)oxolane
CID 71352690
5-pentyl-1,3-oxazolidine
CID 67960435
2-heptylmorpholine
CID 65122133
(2R)-2-dodecylmorpholine
CID 129384651
2-hexadecylmorpholine;hydrobromide
CID 174842760
3-hexylazetidine
CID 79452100
azane;2-decylmorpholine;hydroiodide
CID 174921054
(2S)-2-pentadecyloxirane
CID 10706151
2-hexatetracontyloxirane
CID 102093756
2-tetratetracontyloxirane
CID 102093754
2-tetradecyloxirane
CID 23741
(2R)-2-octadecyloxirane
CID 98043533

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-heptylmorpholine?
The IUPAC name of 2-ethyl-6-heptylmorpholine (CID 65122672) is 2-ethyl-6-heptylmorpholine.
What is the SMILES notation for 2-ethyl-6-heptylmorpholine?
The canonical SMILES for 2-ethyl-6-heptylmorpholine is CCCCCCCC1CNCC(CC)O1.
What is the InChIKey of 2-ethyl-6-heptylmorpholine?
The InChIKey is NJCCUUWNKKXPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-3-5-6-7-8-9-13-11-14-10-12(4-2)15-13/h12-14H,3-11H2,1-2H3.
What are the key properties of 2-ethyl-6-heptylmorpholine?
2-ethyl-6-heptylmorpholine has a molecular weight of 213.36 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-heptylmorpholine is sourced from PubChem (CID 65122672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).