1-[3-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methylmorpholin-2-yl]-N-methylmethanamine

C15H28N4O — CID 83094871

IUPAC1-[3-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methylmorpholin-2-yl]-N-methylmethanamine
SMILESCNCC1OCCN(C)C1c1cn(C)nc1C(C)(C)C
InChIInChI=1S/C15H28N4O/c1-15(2,3)14-11(10-19(6)17-14)13-12(9-16-4)20-8-7-18(13)5/h10,12-13,16H,7-9H2,1-6H3
InChIKeyDQUVNGLZVPIQLC-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.31
Rot. Bonds3

About 1-[3-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methylmorpholin-2-yl]-N-methylmethanamine

1-[3-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methylmorpholin-2-yl]-N-methylmethanamine (PubChem CID 83094871) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 1-[3-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methylmorpholin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methylmorpholin-2-yl]-N-methylmethanamine
PubChem CID83094871
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name1-[3-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methylmorpholin-2-yl]-N-methylmethanamine
SMILESCNCC1OCCN(C)C1c1cn(C)nc1C(C)(C)C
InChIInChI=1S/C15H28N4O/c1-15(2,3)14-11(10-19(6)17-14)13-12(9-16-4)20-8-7-18(13)5/h10,12-13,16H,7-9H2,1-6H3
InChIKeyDQUVNGLZVPIQLC-UHFFFAOYSA-N
XLogP1.31
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methylmorpholin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methylmorpholin-2-yl]-N-methylmethanamine (CID 83094871) is 1-[3-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methylmorpholin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methylmorpholin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methylmorpholin-2-yl]-N-methylmethanamine is CNCC1OCCN(C)C1c1cn(C)nc1C(C)(C)C.
What is the InChIKey of 1-[3-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methylmorpholin-2-yl]-N-methylmethanamine?
The InChIKey is DQUVNGLZVPIQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-15(2,3)14-11(10-19(6)17-14)13-12(9-16-4)20-8-7-18(13)5/h10,12-13,16H,7-9H2,1-6H3.
What are the key properties of 1-[3-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methylmorpholin-2-yl]-N-methylmethanamine?
1-[3-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methylmorpholin-2-yl]-N-methylmethanamine has a molecular weight of 280.42 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methylmorpholin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 83094871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).