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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Related Compounds

CID 736065
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CID 736066
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CID 5325957
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CID 11020211
CID 11020211
CID 3800909
CID 3800909
CID 11127725
CID 11127725
CID 11481040
CID 11481040
CID 13049214
CID 13049214
CID 59611093
CID 59611093
CID 66621202
CID 66621202
CID 66791149
CID 66791149
CID 89887653
CID 89887653

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).