3,6-diethoxy-2-propan-2-yl-5-propyl-2,5-dihydropyrazine

C14H26N2O2 — CID 161224014

IUPAC3,6-diethoxy-2-propan-2-yl-5-propyl-2,5-dihydropyrazine
SMILESCCCC1N=C(OCC)C(C(C)C)N=C1OCC
InChIInChI=1S/C14H26N2O2/c1-6-9-11-13(17-7-2)16-12(10(4)5)14(15-11)18-8-3/h10-12H,6-9H2,1-5H3
InChIKeyUXWQXDKVYWETPN-UHFFFAOYSA-N
MW254.37 g/mol
LogP3.06
Rot. Bonds5

About 3,6-diethoxy-2-propan-2-yl-5-propyl-2,5-dihydropyrazine

3,6-diethoxy-2-propan-2-yl-5-propyl-2,5-dihydropyrazine (PubChem CID 161224014) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 3,6-diethoxy-2-propan-2-yl-5-propyl-2,5-dihydropyrazine.

Molecular Properties

Compound Name3,6-diethoxy-2-propan-2-yl-5-propyl-2,5-dihydropyrazine
PubChem CID161224014
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name3,6-diethoxy-2-propan-2-yl-5-propyl-2,5-dihydropyrazine
SMILESCCCC1N=C(OCC)C(C(C)C)N=C1OCC
InChIInChI=1S/C14H26N2O2/c1-6-9-11-13(17-7-2)16-12(10(4)5)14(15-11)18-8-3/h10-12H,6-9H2,1-5H3
InChIKeyUXWQXDKVYWETPN-UHFFFAOYSA-N
XLogP3.06
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-diethoxy-2-propan-2-yl-5-propyl-2,5-dihydropyrazine?
The IUPAC name of 3,6-diethoxy-2-propan-2-yl-5-propyl-2,5-dihydropyrazine (CID 161224014) is 3,6-diethoxy-2-propan-2-yl-5-propyl-2,5-dihydropyrazine.
What is the SMILES notation for 3,6-diethoxy-2-propan-2-yl-5-propyl-2,5-dihydropyrazine?
The canonical SMILES for 3,6-diethoxy-2-propan-2-yl-5-propyl-2,5-dihydropyrazine is CCCC1N=C(OCC)C(C(C)C)N=C1OCC.
What is the InChIKey of 3,6-diethoxy-2-propan-2-yl-5-propyl-2,5-dihydropyrazine?
The InChIKey is UXWQXDKVYWETPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-6-9-11-13(17-7-2)16-12(10(4)5)14(15-11)18-8-3/h10-12H,6-9H2,1-5H3.
What are the key properties of 3,6-diethoxy-2-propan-2-yl-5-propyl-2,5-dihydropyrazine?
3,6-diethoxy-2-propan-2-yl-5-propyl-2,5-dihydropyrazine has a molecular weight of 254.37 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diethoxy-2-propan-2-yl-5-propyl-2,5-dihydropyrazine is sourced from PubChem (CID 161224014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).