5-(2-butoxyethoxymethyl)-N-propylpyrazin-2-amine

C14H25N3O2 — CID 103058513

IUPAC5-(2-butoxyethoxymethyl)-N-propylpyrazin-2-amine
SMILESCCCCOCCOCc1cnc(NCCC)cn1
InChIInChI=1S/C14H25N3O2/c1-3-5-7-18-8-9-19-12-13-10-17-14(11-16-13)15-6-4-2/h10-11H,3-9,12H2,1-2H3,(H,15,17)
InChIKeyJSMWLLJJGKKQAR-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.63
Rot. Bonds11

About 5-(2-butoxyethoxymethyl)-N-propylpyrazin-2-amine

5-(2-butoxyethoxymethyl)-N-propylpyrazin-2-amine (PubChem CID 103058513) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 5-(2-butoxyethoxymethyl)-N-propylpyrazin-2-amine.

Molecular Properties

Compound Name5-(2-butoxyethoxymethyl)-N-propylpyrazin-2-amine
PubChem CID103058513
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name5-(2-butoxyethoxymethyl)-N-propylpyrazin-2-amine
SMILESCCCCOCCOCc1cnc(NCCC)cn1
InChIInChI=1S/C14H25N3O2/c1-3-5-7-18-8-9-19-12-13-10-17-14(11-16-13)15-6-4-2/h10-11H,3-9,12H2,1-2H3,(H,15,17)
InChIKeyJSMWLLJJGKKQAR-UHFFFAOYSA-N
XLogP2.63
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.63
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 5-(2-butoxyethoxymethyl)-N-propylpyrazin-2-amine?
The IUPAC name of 5-(2-butoxyethoxymethyl)-N-propylpyrazin-2-amine (CID 103058513) is 5-(2-butoxyethoxymethyl)-N-propylpyrazin-2-amine.
What is the SMILES notation for 5-(2-butoxyethoxymethyl)-N-propylpyrazin-2-amine?
The canonical SMILES for 5-(2-butoxyethoxymethyl)-N-propylpyrazin-2-amine is CCCCOCCOCc1cnc(NCCC)cn1.
What is the InChIKey of 5-(2-butoxyethoxymethyl)-N-propylpyrazin-2-amine?
The InChIKey is JSMWLLJJGKKQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-3-5-7-18-8-9-19-12-13-10-17-14(11-16-13)15-6-4-2/h10-11H,3-9,12H2,1-2H3,(H,15,17).
What are the key properties of 5-(2-butoxyethoxymethyl)-N-propylpyrazin-2-amine?
5-(2-butoxyethoxymethyl)-N-propylpyrazin-2-amine has a molecular weight of 267.37 g/mol, XLogP of 2.63, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-butoxyethoxymethyl)-N-propylpyrazin-2-amine is sourced from PubChem (CID 103058513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).