2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine

C16H30N4O — CID 83090663

IUPAC2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine
SMILESCn1cc(C(CN)N2CCOCC2(C)C)c(C(C)(C)C)n1
InChIInChI=1S/C16H30N4O/c1-15(2,3)14-12(10-19(6)18-14)13(9-17)20-7-8-21-11-16(20,4)5/h10,13H,7-9,11,17H2,1-6H3
InChIKeyWWCXZFDPAZZAJK-UHFFFAOYSA-N
MW294.44 g/mol
LogP1.83
Rot. Bonds3

About 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine

2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine (PubChem CID 83090663) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine
PubChem CID83090663
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine
SMILESCn1cc(C(CN)N2CCOCC2(C)C)c(C(C)(C)C)n1
InChIInChI=1S/C16H30N4O/c1-15(2,3)14-12(10-19(6)18-14)13(9-17)20-7-8-21-11-16(20,4)5/h10,13H,7-9,11,17H2,1-6H3
InChIKeyWWCXZFDPAZZAJK-UHFFFAOYSA-N
XLogP1.83
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-morpholin-4-ylethanamine
CID 83089493
2-(3,3-dimethylmorpholin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanamine
CID 61429560
2-(3,3-dimethylmorpholin-4-yl)-2-phenylethanamine
CID 61429869
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
3-(3-tert-butyl-1-methylpyrazol-4-yl)-3-morpholin-4-ylpropanoic acid
CID 83083998
2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2-ethylpiperidin-1-yl)ethanamine
CID 83090524
2-(3,3-dimethylmorpholin-4-yl)-2-(4-methylsulfanylphenyl)ethanamine
CID 61430214
2-(3,3-dimethylmorpholin-4-yl)-2-(4-propan-2-yloxyphenyl)ethanamine
CID 61429670
2-(3-chlorophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine
CID 61429561
2-(3,3-dimethylmorpholin-4-yl)-2-(4-propoxyphenyl)ethanamine
CID 62496621
2-(3,3-dimethylmorpholin-4-yl)-2-(4-methoxy-3-methylphenyl)ethanamine
CID 62132253

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine?
The IUPAC name of 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine (CID 83090663) is 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine.
What is the SMILES notation for 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine?
The canonical SMILES for 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine is Cn1cc(C(CN)N2CCOCC2(C)C)c(C(C)(C)C)n1.
What is the InChIKey of 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine?
The InChIKey is WWCXZFDPAZZAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-15(2,3)14-12(10-19(6)18-14)13(9-17)20-7-8-21-11-16(20,4)5/h10,13H,7-9,11,17H2,1-6H3.
What are the key properties of 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine?
2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine has a molecular weight of 294.44 g/mol, XLogP of 1.83, 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-(3,3-dimethylmorpholin-4-yl)ethanamine is sourced from PubChem (CID 83090663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).