3-(5-ethyl-2-methylmorpholin-4-yl)-N,2-dimethylbutan-1-amine

C13H28N2O — CID 79409058

IUPAC3-(5-ethyl-2-methylmorpholin-4-yl)-N,2-dimethylbutan-1-amine
SMILESCCC1COC(C)CN1C(C)C(C)CNC
InChIInChI=1S/C13H28N2O/c1-6-13-9-16-11(3)8-15(13)12(4)10(2)7-14-5/h10-14H,6-9H2,1-5H3
InChIKeyANGZESKHLPSLPD-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.73
Rot. Bonds5

About 3-(5-ethyl-2-methylmorpholin-4-yl)-N,2-dimethylbutan-1-amine

3-(5-ethyl-2-methylmorpholin-4-yl)-N,2-dimethylbutan-1-amine (PubChem CID 79409058) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-(5-ethyl-2-methylmorpholin-4-yl)-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name3-(5-ethyl-2-methylmorpholin-4-yl)-N,2-dimethylbutan-1-amine
PubChem CID79409058
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name3-(5-ethyl-2-methylmorpholin-4-yl)-N,2-dimethylbutan-1-amine
SMILESCCC1COC(C)CN1C(C)C(C)CNC
InChIInChI=1S/C13H28N2O/c1-6-13-9-16-11(3)8-15(13)12(4)10(2)7-14-5/h10-14H,6-9H2,1-5H3
InChIKeyANGZESKHLPSLPD-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-2-methylmorpholin-4-yl)-N,2-dimethylbutan-1-amine?
The IUPAC name of 3-(5-ethyl-2-methylmorpholin-4-yl)-N,2-dimethylbutan-1-amine (CID 79409058) is 3-(5-ethyl-2-methylmorpholin-4-yl)-N,2-dimethylbutan-1-amine.
What is the SMILES notation for 3-(5-ethyl-2-methylmorpholin-4-yl)-N,2-dimethylbutan-1-amine?
The canonical SMILES for 3-(5-ethyl-2-methylmorpholin-4-yl)-N,2-dimethylbutan-1-amine is CCC1COC(C)CN1C(C)C(C)CNC.
What is the InChIKey of 3-(5-ethyl-2-methylmorpholin-4-yl)-N,2-dimethylbutan-1-amine?
The InChIKey is ANGZESKHLPSLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-6-13-9-16-11(3)8-15(13)12(4)10(2)7-14-5/h10-14H,6-9H2,1-5H3.
What are the key properties of 3-(5-ethyl-2-methylmorpholin-4-yl)-N,2-dimethylbutan-1-amine?
3-(5-ethyl-2-methylmorpholin-4-yl)-N,2-dimethylbutan-1-amine has a molecular weight of 228.38 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-2-methylmorpholin-4-yl)-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 79409058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).