1-ethoxy-N-ethyl-3-methyl-3-morpholin-4-ylbutan-2-amine

C13H28N2O2 — CID 79575615

IUPAC1-ethoxy-N-ethyl-3-methyl-3-morpholin-4-ylbutan-2-amine
SMILESCCNC(COCC)C(C)(C)N1CCOCC1
InChIInChI=1S/C13H28N2O2/c1-5-14-12(11-16-6-2)13(3,4)15-7-9-17-10-8-15/h12,14H,5-11H2,1-4H3
InChIKeyRUBZHOJBVFKTGK-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.11
Rot. Bonds7

About 1-ethoxy-N-ethyl-3-methyl-3-morpholin-4-ylbutan-2-amine

1-ethoxy-N-ethyl-3-methyl-3-morpholin-4-ylbutan-2-amine (PubChem CID 79575615) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-ethoxy-N-ethyl-3-methyl-3-morpholin-4-ylbutan-2-amine.

Molecular Properties

Compound Name1-ethoxy-N-ethyl-3-methyl-3-morpholin-4-ylbutan-2-amine
PubChem CID79575615
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name1-ethoxy-N-ethyl-3-methyl-3-morpholin-4-ylbutan-2-amine
SMILESCCNC(COCC)C(C)(C)N1CCOCC1
InChIInChI=1S/C13H28N2O2/c1-5-14-12(11-16-6-2)13(3,4)15-7-9-17-10-8-15/h12,14H,5-11H2,1-4H3
InChIKeyRUBZHOJBVFKTGK-UHFFFAOYSA-N
XLogP1.11
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-N-ethyl-3-methyl-3-morpholin-4-ylbutan-2-amine?
The IUPAC name of 1-ethoxy-N-ethyl-3-methyl-3-morpholin-4-ylbutan-2-amine (CID 79575615) is 1-ethoxy-N-ethyl-3-methyl-3-morpholin-4-ylbutan-2-amine.
What is the SMILES notation for 1-ethoxy-N-ethyl-3-methyl-3-morpholin-4-ylbutan-2-amine?
The canonical SMILES for 1-ethoxy-N-ethyl-3-methyl-3-morpholin-4-ylbutan-2-amine is CCNC(COCC)C(C)(C)N1CCOCC1.
What is the InChIKey of 1-ethoxy-N-ethyl-3-methyl-3-morpholin-4-ylbutan-2-amine?
The InChIKey is RUBZHOJBVFKTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-5-14-12(11-16-6-2)13(3,4)15-7-9-17-10-8-15/h12,14H,5-11H2,1-4H3.
What are the key properties of 1-ethoxy-N-ethyl-3-methyl-3-morpholin-4-ylbutan-2-amine?
1-ethoxy-N-ethyl-3-methyl-3-morpholin-4-ylbutan-2-amine has a molecular weight of 244.38 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-N-ethyl-3-methyl-3-morpholin-4-ylbutan-2-amine is sourced from PubChem (CID 79575615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).