2-(1-butan-2-ylpyrazol-3-yl)-1-(4-methylmorpholin-2-yl)ethanamine

C14H26N4O — CID 79093134

IUPAC2-(1-butan-2-ylpyrazol-3-yl)-1-(4-methylmorpholin-2-yl)ethanamine
SMILESCCC(C)n1ccc(CC(N)C2CN(C)CCO2)n1
InChIInChI=1S/C14H26N4O/c1-4-11(2)18-6-5-12(16-18)9-13(15)14-10-17(3)7-8-19-14/h5-6,11,13-14H,4,7-10,15H2,1-3H3
InChIKeyALEQFYBOOKIZLM-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.05
Rot. Bonds5

About 2-(1-butan-2-ylpyrazol-3-yl)-1-(4-methylmorpholin-2-yl)ethanamine

2-(1-butan-2-ylpyrazol-3-yl)-1-(4-methylmorpholin-2-yl)ethanamine (PubChem CID 79093134) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-(1-butan-2-ylpyrazol-3-yl)-1-(4-methylmorpholin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(1-butan-2-ylpyrazol-3-yl)-1-(4-methylmorpholin-2-yl)ethanamine
PubChem CID79093134
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name2-(1-butan-2-ylpyrazol-3-yl)-1-(4-methylmorpholin-2-yl)ethanamine
SMILESCCC(C)n1ccc(CC(N)C2CN(C)CCO2)n1
InChIInChI=1S/C14H26N4O/c1-4-11(2)18-6-5-12(16-18)9-13(15)14-10-17(3)7-8-19-14/h5-6,11,13-14H,4,7-10,15H2,1-3H3
InChIKeyALEQFYBOOKIZLM-UHFFFAOYSA-N
XLogP1.05
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-butan-2-ylpyrazol-3-yl)-1-(4-methylmorpholin-2-yl)ethanamine?
The IUPAC name of 2-(1-butan-2-ylpyrazol-3-yl)-1-(4-methylmorpholin-2-yl)ethanamine (CID 79093134) is 2-(1-butan-2-ylpyrazol-3-yl)-1-(4-methylmorpholin-2-yl)ethanamine.
What is the SMILES notation for 2-(1-butan-2-ylpyrazol-3-yl)-1-(4-methylmorpholin-2-yl)ethanamine?
The canonical SMILES for 2-(1-butan-2-ylpyrazol-3-yl)-1-(4-methylmorpholin-2-yl)ethanamine is CCC(C)n1ccc(CC(N)C2CN(C)CCO2)n1.
What is the InChIKey of 2-(1-butan-2-ylpyrazol-3-yl)-1-(4-methylmorpholin-2-yl)ethanamine?
The InChIKey is ALEQFYBOOKIZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-4-11(2)18-6-5-12(16-18)9-13(15)14-10-17(3)7-8-19-14/h5-6,11,13-14H,4,7-10,15H2,1-3H3.
What are the key properties of 2-(1-butan-2-ylpyrazol-3-yl)-1-(4-methylmorpholin-2-yl)ethanamine?
2-(1-butan-2-ylpyrazol-3-yl)-1-(4-methylmorpholin-2-yl)ethanamine has a molecular weight of 266.39 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butan-2-ylpyrazol-3-yl)-1-(4-methylmorpholin-2-yl)ethanamine is sourced from PubChem (CID 79093134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).