2-decyl-3-methoxypyrazine

C15H26N2O — CID 528301

IUPAC2-decyl-3-methoxypyrazine
SMILESCCCCCCCCCCc1nccnc1OC
InChIInChI=1S/C15H26N2O/c1-3-4-5-6-7-8-9-10-11-14-15(18-2)17-13-12-16-14/h12-13H,3-11H2,1-2H3
InChIKeyGPPITQVRTWNRMY-UHFFFAOYSA-N
MW250.39 g/mol
LogP4.17
Rot. Bonds10

About 2-decyl-3-methoxypyrazine

2-decyl-3-methoxypyrazine (PubChem CID 528301) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-decyl-3-methoxypyrazine.

Molecular Properties

Compound Name2-decyl-3-methoxypyrazine
PubChem CID528301
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-decyl-3-methoxypyrazine
SMILESCCCCCCCCCCc1nccnc1OC
InChIInChI=1S/C15H26N2O/c1-3-4-5-6-7-8-9-10-11-14-15(18-2)17-13-12-16-14/h12-13H,3-11H2,1-2H3
InChIKeyGPPITQVRTWNRMY-UHFFFAOYSA-N
XLogP4.17
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-2-octylpyridine
CID 102048148
2-(4-tert-butylphenoxy)-3-nonylpyrazine
CID 20979308
3-(3-methoxypyrazin-2-yl)propanal
CID 104516368
2-nonyl-3-(4-phenylphenoxy)pyrazine
CID 20979288
2-(4-azidobutoxy)-3-decylpyrazine
CID 10616667
3-(3-methoxypyrazin-2-yl)-N-propan-2-ylpropan-1-amine
CID 104516398
1-(3-methoxypyrazin-2-yl)decan-1-amine
CID 105032041
2-decyl-3-ethylsulfanylpyrazine
CID 528300
2-ethylsulfanyl-3-octylpyrazine
CID 528316
2-octylpyridin-3-amine
CID 23131469
1-(3-methoxypyrazin-2-yl)octan-1-one
CID 115797152
ethyl 2-(3-methoxypyrazin-2-yl)acetate
CID 112692734

Frequently Asked Questions

What is the IUPAC name of 2-decyl-3-methoxypyrazine?
The IUPAC name of 2-decyl-3-methoxypyrazine (CID 528301) is 2-decyl-3-methoxypyrazine.
What is the SMILES notation for 2-decyl-3-methoxypyrazine?
The canonical SMILES for 2-decyl-3-methoxypyrazine is CCCCCCCCCCc1nccnc1OC.
What is the InChIKey of 2-decyl-3-methoxypyrazine?
The InChIKey is GPPITQVRTWNRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-3-4-5-6-7-8-9-10-11-14-15(18-2)17-13-12-16-14/h12-13H,3-11H2,1-2H3.
What are the key properties of 2-decyl-3-methoxypyrazine?
2-decyl-3-methoxypyrazine has a molecular weight of 250.39 g/mol, XLogP of 4.17, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decyl-3-methoxypyrazine is sourced from PubChem (CID 528301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).