2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-morpholin-4-ylethanamine

C14H26N4O — CID 83089493

IUPAC2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-morpholin-4-ylethanamine
SMILESCn1cc(C(CN)N2CCOCC2)c(C(C)(C)C)n1
InChIInChI=1S/C14H26N4O/c1-14(2,3)13-11(10-17(4)16-13)12(9-15)18-5-7-19-8-6-18/h10,12H,5-9,15H2,1-4H3
InChIKeyRJSXYZDQNNNYTL-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.05
Rot. Bonds3

About 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-morpholin-4-ylethanamine

2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-morpholin-4-ylethanamine (PubChem CID 83089493) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-morpholin-4-ylethanamine.

Molecular Properties

Compound Name2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-morpholin-4-ylethanamine
PubChem CID83089493
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-morpholin-4-ylethanamine
SMILESCn1cc(C(CN)N2CCOCC2)c(C(C)(C)C)n1
InChIInChI=1S/C14H26N4O/c1-14(2,3)13-11(10-17(4)16-13)12(9-15)18-5-7-19-8-6-18/h10,12H,5-9,15H2,1-4H3
InChIKeyRJSXYZDQNNNYTL-UHFFFAOYSA-N
XLogP1.05
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
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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Related Compounds

3-(3-tert-butyl-1-methylpyrazol-4-yl)-3-morpholin-4-ylpropanoic acid
CID 83083998
2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine
CID 83090663
1-[2-amino-1-(3-tert-butyl-1-methylpyrazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 83090688
2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine
CID 83090809
2-(1,3-dimethylpyrazol-4-yl)-2-(1,4-oxazepan-4-yl)ethanamine
CID 83089014
2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2-ethylpiperidin-1-yl)ethanamine
CID 83090524
2-(1,3-dimethylpyrazol-4-yl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 83088573
2-(1,3-dimethylpyrazol-4-yl)-2-(2-methylmorpholin-4-yl)ethanamine
CID 83089167
2-(1,5-dimethylimidazol-4-yl)-2-morpholin-4-ylethanamine
CID 84740438
2-(azocan-1-yl)-2-(3-ethyl-1-methylpyrazol-4-yl)ethanamine
CID 112669237
ethyl 3-(1,3-dimethylpyrazol-4-yl)-3-morpholin-4-ylpropanoate
CID 83095163
4-amino-3-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methylpentan-1-ol
CID 83094621

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-morpholin-4-ylethanamine?
The IUPAC name of 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-morpholin-4-ylethanamine (CID 83089493) is 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-morpholin-4-ylethanamine.
What is the SMILES notation for 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-morpholin-4-ylethanamine?
The canonical SMILES for 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-morpholin-4-ylethanamine is Cn1cc(C(CN)N2CCOCC2)c(C(C)(C)C)n1.
What is the InChIKey of 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-morpholin-4-ylethanamine?
The InChIKey is RJSXYZDQNNNYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-14(2,3)13-11(10-17(4)16-13)12(9-15)18-5-7-19-8-6-18/h10,12H,5-9,15H2,1-4H3.
What are the key properties of 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-morpholin-4-ylethanamine?
2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-morpholin-4-ylethanamine has a molecular weight of 266.39 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-morpholin-4-ylethanamine is sourced from PubChem (CID 83089493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).