3-(2-methoxyethoxy)-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine

C12H23N3O2 — CID 114130438

IUPAC3-(2-methoxyethoxy)-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine
SMILESCOCCOCCCNCCn1cc(C)cn1
InChIInChI=1S/C12H23N3O2/c1-12-10-14-15(11-12)6-5-13-4-3-7-17-9-8-16-2/h10-11,13H,3-9H2,1-2H3
InChIKeyZLSGJBMWRFKBBF-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.83
Rot. Bonds10

About 3-(2-methoxyethoxy)-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine

3-(2-methoxyethoxy)-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine (PubChem CID 114130438) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine
PubChem CID114130438
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name3-(2-methoxyethoxy)-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine
SMILESCOCCOCCCNCCn1cc(C)cn1
InChIInChI=1S/C12H23N3O2/c1-12-10-14-15(11-12)6-5-13-4-3-7-17-9-8-16-2/h10-11,13H,3-9H2,1-2H3
InChIKeyZLSGJBMWRFKBBF-UHFFFAOYSA-N
XLogP0.83
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine?
The IUPAC name of 3-(2-methoxyethoxy)-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine (CID 114130438) is 3-(2-methoxyethoxy)-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine.
What is the SMILES notation for 3-(2-methoxyethoxy)-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine?
The canonical SMILES for 3-(2-methoxyethoxy)-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine is COCCOCCCNCCn1cc(C)cn1.
What is the InChIKey of 3-(2-methoxyethoxy)-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine?
The InChIKey is ZLSGJBMWRFKBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-12-10-14-15(11-12)6-5-13-4-3-7-17-9-8-16-2/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 3-(2-methoxyethoxy)-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine?
3-(2-methoxyethoxy)-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine has a molecular weight of 241.33 g/mol, XLogP of 0.83, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine is sourced from PubChem (CID 114130438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).