6-ethyl-2-methyl-2-pentylmorpholine

C12H25NO — CID 80558910

IUPAC6-ethyl-2-methyl-2-pentylmorpholine
SMILESCCCCCC1(C)CNCC(CC)O1
InChIInChI=1S/C12H25NO/c1-4-6-7-8-12(3)10-13-9-11(5-2)14-12/h11,13H,4-10H2,1-3H3
InChIKeyLQDFSGDGVOFGGN-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.72
Rot. Bonds5

About 6-ethyl-2-methyl-2-pentylmorpholine

6-ethyl-2-methyl-2-pentylmorpholine (PubChem CID 80558910) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 6-ethyl-2-methyl-2-pentylmorpholine.

Molecular Properties

Compound Name6-ethyl-2-methyl-2-pentylmorpholine
PubChem CID80558910
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name6-ethyl-2-methyl-2-pentylmorpholine
SMILESCCCCCC1(C)CNCC(CC)O1
InChIInChI=1S/C12H25NO/c1-4-6-7-8-12(3)10-13-9-11(5-2)14-12/h11,13H,4-10H2,1-3H3
InChIKeyLQDFSGDGVOFGGN-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.72
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

6-ethyl-2-methyl-2-(2-methylpropyl)morpholine
CID 65122203
2,2,6-trimethyl-6-pentylmorpholine
CID 80558946
2-dodecyl-2-methylmorpholine;hydrobromide
CID 173402578
(2R)-2-hexadecyl-2,4-dimethyloxetane
CID 11638167
2-methyl-2-pentyloxirane
CID 559073
2-heptyl-2,6-dimethyl-6-propan-2-ylmorpholine
CID 114497556
2-icosyl-2-methyloxirane
CID 87753382
2-methyl-2-nonadecyloxirane
CID 87754306
2-hexadecyl-2-methyloxirane
CID 87444144
(5S,7R)-7-ethyl-2,6-dioxa-9-azaspiro[4.5]decane
CID 96936611
(5S,7S)-7-ethyl-2,6-dioxa-9-azaspiro[4.5]decane
CID 96936612
2-ethyl-6-heptylmorpholine
CID 65122672

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-methyl-2-pentylmorpholine?
The IUPAC name of 6-ethyl-2-methyl-2-pentylmorpholine (CID 80558910) is 6-ethyl-2-methyl-2-pentylmorpholine.
What is the SMILES notation for 6-ethyl-2-methyl-2-pentylmorpholine?
The canonical SMILES for 6-ethyl-2-methyl-2-pentylmorpholine is CCCCCC1(C)CNCC(CC)O1.
What is the InChIKey of 6-ethyl-2-methyl-2-pentylmorpholine?
The InChIKey is LQDFSGDGVOFGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-6-7-8-12(3)10-13-9-11(5-2)14-12/h11,13H,4-10H2,1-3H3.
What are the key properties of 6-ethyl-2-methyl-2-pentylmorpholine?
6-ethyl-2-methyl-2-pentylmorpholine has a molecular weight of 199.34 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-methyl-2-pentylmorpholine is sourced from PubChem (CID 80558910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).