2-hexadecan-8-yl-5-methoxypyrazine

C21H38N2O — CID 146209208

IUPAC2-hexadecan-8-yl-5-methoxypyrazine
SMILESCCCCCCCCC(CCCCCCC)c1cnc(OC)cn1
InChIInChI=1S/C21H38N2O/c1-4-6-8-10-12-14-16-19(15-13-11-9-7-5-2)20-17-23-21(24-3)18-22-20/h17-19H,4-16H2,1-3H3
InChIKeyUBEYBJYIJDIHPN-UHFFFAOYSA-N
MW334.55 g/mol
LogP6.68
Rot. Bonds15

About 2-hexadecan-8-yl-5-methoxypyrazine

2-hexadecan-8-yl-5-methoxypyrazine (PubChem CID 146209208) has the molecular formula C21H38N2O and a molecular weight of 334.55 g/mol. Its IUPAC name is 2-hexadecan-8-yl-5-methoxypyrazine.

Molecular Properties

Compound Name2-hexadecan-8-yl-5-methoxypyrazine
PubChem CID146209208
Molecular FormulaC21H38N2O
Molecular Weight334.55 g/mol
Exact Mass334.30
IUPAC Name2-hexadecan-8-yl-5-methoxypyrazine
SMILESCCCCCCCCC(CCCCCCC)c1cnc(OC)cn1
InChIInChI=1S/C21H38N2O/c1-4-6-8-10-12-14-16-19(15-13-11-9-7-5-2)20-17-23-21(24-3)18-22-20/h17-19H,4-16H2,1-3H3
InChIKeyUBEYBJYIJDIHPN-UHFFFAOYSA-N
XLogP6.68
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.55
LogP ≤ 56.68
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

5-methoxy-2-tridecan-7-ylpyrimidine
CID 166765750
4,6-dimethoxy-5-[(6R)-tridecan-6-yl]pyrimidine
CID 166688598
O-(5-hexan-3-ylpyrazin-2-yl)hydroxylamine
CID 170361345
3-amino-3-(5-methoxypyrazin-2-yl)propan-1-ol
CID 83828613
1-(6-methoxypyridazin-3-yl)nonan-1-ol
CID 103373545
4,5-dimethyl-2-nonan-3-ylpyridine
CID 170346032
1-(6-methoxypyridazin-3-yl)decan-1-ol
CID 103373600
2-tridecan-6-ylpyridine
CID 139295924
(1R)-1-(6-methoxy-3-pyridinyl)pentan-1-amine
CID 55278684
2-methoxy-6-octan-2-ylpyridine
CID 170048215
1-(5-methylpyrazin-2-yl)octan-1-amine
CID 105124976
2-decan-4-ylpyridine
CID 67882797

Frequently Asked Questions

What is the IUPAC name of 2-hexadecan-8-yl-5-methoxypyrazine?
The IUPAC name of 2-hexadecan-8-yl-5-methoxypyrazine (CID 146209208) is 2-hexadecan-8-yl-5-methoxypyrazine.
What is the SMILES notation for 2-hexadecan-8-yl-5-methoxypyrazine?
The canonical SMILES for 2-hexadecan-8-yl-5-methoxypyrazine is CCCCCCCCC(CCCCCCC)c1cnc(OC)cn1.
What is the InChIKey of 2-hexadecan-8-yl-5-methoxypyrazine?
The InChIKey is UBEYBJYIJDIHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N2O/c1-4-6-8-10-12-14-16-19(15-13-11-9-7-5-2)20-17-23-21(24-3)18-22-20/h17-19H,4-16H2,1-3H3.
What are the key properties of 2-hexadecan-8-yl-5-methoxypyrazine?
2-hexadecan-8-yl-5-methoxypyrazine has a molecular weight of 334.55 g/mol, XLogP of 6.68, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexadecan-8-yl-5-methoxypyrazine is sourced from PubChem (CID 146209208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).