3-methoxy-N-methyl-2-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine

C11H21N3O — CID 103227561

IUPAC3-methoxy-N-methyl-2-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine
SMILESCNCC(COC)n1nc(C)c(C)c1C
InChIInChI=1S/C11H21N3O/c1-8-9(2)13-14(10(8)3)11(6-12-4)7-15-5/h11-12H,6-7H2,1-5H3
InChIKeyLJJVGSFCXPOSGM-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.22
Rot. Bonds5

About 3-methoxy-N-methyl-2-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine

3-methoxy-N-methyl-2-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine (PubChem CID 103227561) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 3-methoxy-N-methyl-2-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-methyl-2-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine
PubChem CID103227561
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name3-methoxy-N-methyl-2-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine
SMILESCNCC(COC)n1nc(C)c(C)c1C
InChIInChI=1S/C11H21N3O/c1-8-9(2)13-14(10(8)3)11(6-12-4)7-15-5/h11-12H,6-7H2,1-5H3
InChIKeyLJJVGSFCXPOSGM-UHFFFAOYSA-N
XLogP1.22
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-2-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine?
The IUPAC name of 3-methoxy-N-methyl-2-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine (CID 103227561) is 3-methoxy-N-methyl-2-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine.
What is the SMILES notation for 3-methoxy-N-methyl-2-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine?
The canonical SMILES for 3-methoxy-N-methyl-2-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine is CNCC(COC)n1nc(C)c(C)c1C.
What is the InChIKey of 3-methoxy-N-methyl-2-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine?
The InChIKey is LJJVGSFCXPOSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-8-9(2)13-14(10(8)3)11(6-12-4)7-15-5/h11-12H,6-7H2,1-5H3.
What are the key properties of 3-methoxy-N-methyl-2-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine?
3-methoxy-N-methyl-2-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine has a molecular weight of 211.31 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-2-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine is sourced from PubChem (CID 103227561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).