2-(1,3-dimethylpyrazol-4-yl)-2-(2-methylmorpholin-4-yl)ethanamine

C12H22N4O — CID 83089167

IUPAC2-(1,3-dimethylpyrazol-4-yl)-2-(2-methylmorpholin-4-yl)ethanamine
SMILESCc1nn(C)cc1C(CN)N1CCOC(C)C1
InChIInChI=1S/C12H22N4O/c1-9-7-16(4-5-17-9)12(6-13)11-8-15(3)14-10(11)2/h8-9,12H,4-7,13H2,1-3H3
InChIKeyRXZUNBVAAGSRRG-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.45
Rot. Bonds3

About 2-(1,3-dimethylpyrazol-4-yl)-2-(2-methylmorpholin-4-yl)ethanamine

2-(1,3-dimethylpyrazol-4-yl)-2-(2-methylmorpholin-4-yl)ethanamine (PubChem CID 83089167) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-(1,3-dimethylpyrazol-4-yl)-2-(2-methylmorpholin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(1,3-dimethylpyrazol-4-yl)-2-(2-methylmorpholin-4-yl)ethanamine
PubChem CID83089167
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-(1,3-dimethylpyrazol-4-yl)-2-(2-methylmorpholin-4-yl)ethanamine
SMILESCc1nn(C)cc1C(CN)N1CCOC(C)C1
InChIInChI=1S/C12H22N4O/c1-9-7-16(4-5-17-9)12(6-13)11-8-15(3)14-10(11)2/h8-9,12H,4-7,13H2,1-3H3
InChIKeyRXZUNBVAAGSRRG-UHFFFAOYSA-N
XLogP0.45
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethylpyrazol-4-yl)-2-(2-methylmorpholin-4-yl)ethanamine?
The IUPAC name of 2-(1,3-dimethylpyrazol-4-yl)-2-(2-methylmorpholin-4-yl)ethanamine (CID 83089167) is 2-(1,3-dimethylpyrazol-4-yl)-2-(2-methylmorpholin-4-yl)ethanamine.
What is the SMILES notation for 2-(1,3-dimethylpyrazol-4-yl)-2-(2-methylmorpholin-4-yl)ethanamine?
The canonical SMILES for 2-(1,3-dimethylpyrazol-4-yl)-2-(2-methylmorpholin-4-yl)ethanamine is Cc1nn(C)cc1C(CN)N1CCOC(C)C1.
What is the InChIKey of 2-(1,3-dimethylpyrazol-4-yl)-2-(2-methylmorpholin-4-yl)ethanamine?
The InChIKey is RXZUNBVAAGSRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-9-7-16(4-5-17-9)12(6-13)11-8-15(3)14-10(11)2/h8-9,12H,4-7,13H2,1-3H3.
What are the key properties of 2-(1,3-dimethylpyrazol-4-yl)-2-(2-methylmorpholin-4-yl)ethanamine?
2-(1,3-dimethylpyrazol-4-yl)-2-(2-methylmorpholin-4-yl)ethanamine has a molecular weight of 238.33 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethylpyrazol-4-yl)-2-(2-methylmorpholin-4-yl)ethanamine is sourced from PubChem (CID 83089167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).