1-decan-5-yl-2H-pyrazine

C14H26N2 — CID 142646115

IUPAC1-decan-5-yl-2H-pyrazine
SMILESCCCCCC(CCCC)N1C=CN=CC1
InChIInChI=1S/C14H26N2/c1-3-5-7-9-14(8-6-4-2)16-12-10-15-11-13-16/h10-12,14H,3-9,13H2,1-2H3
InChIKeyHNAYRYKWTOCKTH-UHFFFAOYSA-N
MW222.38 g/mol
LogP3.98
Rot. Bonds8

About 1-decan-5-yl-2H-pyrazine

1-decan-5-yl-2H-pyrazine (PubChem CID 142646115) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 1-decan-5-yl-2H-pyrazine.

Molecular Properties

Compound Name1-decan-5-yl-2H-pyrazine
PubChem CID142646115
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name1-decan-5-yl-2H-pyrazine
SMILESCCCCCC(CCCC)N1C=CN=CC1
InChIInChI=1S/C14H26N2/c1-3-5-7-9-14(8-6-4-2)16-12-10-15-11-13-16/h10-12,14H,3-9,13H2,1-2H3
InChIKeyHNAYRYKWTOCKTH-UHFFFAOYSA-N
XLogP3.98
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Cyclohexylpyrazine
CID 129788776
1,4-dihexadecyl-2H-pyrazin-4-ium
CID 19818974
1,4-dioctyl-2H-pyrazin-4-ium
CID 23148543
4-octyl-1-propyl-2H-pyrazin-4-ium
CID 23148548
4-hexyl-1-propyl-2H-pyrazin-4-ium
CID 23148572
1,4-dihexyl-2H-pyrazin-4-ium
CID 23148582
1-Pentyl-1,2-dihydropyrazine
CID 53445978
1,4-di(hexadecan-7-yl)-2H-pyrazin-4-ium
CID 67918241
4-ethyl-1-octyl-2H-pyrazin-4-ium
CID 68980793
1-hexyl-4-methyl-2H-pyrazin-4-ium
CID 68981296
4-hexyl-1-octyl-2H-pyrazin-4-ium
CID 68981490
4-methyl-1-octyl-2H-pyrazin-4-ium
CID 68982786

Frequently Asked Questions

What is the IUPAC name of 1-decan-5-yl-2H-pyrazine?
The IUPAC name of 1-decan-5-yl-2H-pyrazine (CID 142646115) is 1-decan-5-yl-2H-pyrazine.
What is the SMILES notation for 1-decan-5-yl-2H-pyrazine?
The canonical SMILES for 1-decan-5-yl-2H-pyrazine is CCCCCC(CCCC)N1C=CN=CC1.
What is the InChIKey of 1-decan-5-yl-2H-pyrazine?
The InChIKey is HNAYRYKWTOCKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-3-5-7-9-14(8-6-4-2)16-12-10-15-11-13-16/h10-12,14H,3-9,13H2,1-2H3.
What are the key properties of 1-decan-5-yl-2H-pyrazine?
1-decan-5-yl-2H-pyrazine has a molecular weight of 222.38 g/mol, XLogP of 3.98, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decan-5-yl-2H-pyrazine is sourced from PubChem (CID 142646115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).