4-amino-1-(5-ethyl-2-methylmorpholin-4-yl)butan-1-one

C11H22N2O2 — CID 43579218

IUPAC4-amino-1-(5-ethyl-2-methylmorpholin-4-yl)butan-1-one
SMILESCCC1COC(C)CN1C(=O)CCCN
InChIInChI=1S/C11H22N2O2/c1-3-10-8-15-9(2)7-13(10)11(14)5-4-6-12/h9-10H,3-8,12H2,1-2H3
InChIKeyYGAOSINWWMJCQX-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.75
Rot. Bonds4

About 4-amino-1-(5-ethyl-2-methylmorpholin-4-yl)butan-1-one

4-amino-1-(5-ethyl-2-methylmorpholin-4-yl)butan-1-one (PubChem CID 43579218) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-amino-1-(5-ethyl-2-methylmorpholin-4-yl)butan-1-one.

Molecular Properties

Compound Name4-amino-1-(5-ethyl-2-methylmorpholin-4-yl)butan-1-one
PubChem CID43579218
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name4-amino-1-(5-ethyl-2-methylmorpholin-4-yl)butan-1-one
SMILESCCC1COC(C)CN1C(=O)CCCN
InChIInChI=1S/C11H22N2O2/c1-3-10-8-15-9(2)7-13(10)11(14)5-4-6-12/h9-10H,3-8,12H2,1-2H3
InChIKeyYGAOSINWWMJCQX-UHFFFAOYSA-N
XLogP0.75
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(5-ethyl-2-methylmorpholin-4-yl)butan-1-one?
The IUPAC name of 4-amino-1-(5-ethyl-2-methylmorpholin-4-yl)butan-1-one (CID 43579218) is 4-amino-1-(5-ethyl-2-methylmorpholin-4-yl)butan-1-one.
What is the SMILES notation for 4-amino-1-(5-ethyl-2-methylmorpholin-4-yl)butan-1-one?
The canonical SMILES for 4-amino-1-(5-ethyl-2-methylmorpholin-4-yl)butan-1-one is CCC1COC(C)CN1C(=O)CCCN.
What is the InChIKey of 4-amino-1-(5-ethyl-2-methylmorpholin-4-yl)butan-1-one?
The InChIKey is YGAOSINWWMJCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-10-8-15-9(2)7-13(10)11(14)5-4-6-12/h9-10H,3-8,12H2,1-2H3.
What are the key properties of 4-amino-1-(5-ethyl-2-methylmorpholin-4-yl)butan-1-one?
4-amino-1-(5-ethyl-2-methylmorpholin-4-yl)butan-1-one has a molecular weight of 214.31 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(5-ethyl-2-methylmorpholin-4-yl)butan-1-one is sourced from PubChem (CID 43579218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).