1-(6-methylheptyl)-6-(5-methylhexyl)-2H-pyrazine

C19H36N2 — CID 123211899

IUPAC1-(6-methylheptyl)-6-(5-methylhexyl)-2H-pyrazine
SMILESCC(C)CCCCCN1CC=NC=C1CCCCC(C)C
InChIInChI=1S/C19H36N2/c1-17(2)10-6-5-9-14-21-15-13-20-16-19(21)12-8-7-11-18(3)4/h13,16-18H,5-12,14-15H2,1-4H3
InChIKeyFIXITTMGCBANGX-UHFFFAOYSA-N
MW292.51 g/mol
LogP5.65
Rot. Bonds11

About 1-(6-methylheptyl)-6-(5-methylhexyl)-2H-pyrazine

1-(6-methylheptyl)-6-(5-methylhexyl)-2H-pyrazine (PubChem CID 123211899) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is 1-(6-methylheptyl)-6-(5-methylhexyl)-2H-pyrazine.

Molecular Properties

Compound Name1-(6-methylheptyl)-6-(5-methylhexyl)-2H-pyrazine
PubChem CID123211899
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC Name1-(6-methylheptyl)-6-(5-methylhexyl)-2H-pyrazine
SMILESCC(C)CCCCCN1CC=NC=C1CCCCC(C)C
InChIInChI=1S/C19H36N2/c1-17(2)10-6-5-9-14-21-15-13-20-16-19(21)12-8-7-11-18(3)4/h13,16-18H,5-12,14-15H2,1-4H3
InChIKeyFIXITTMGCBANGX-UHFFFAOYSA-N
XLogP5.65
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.51
LogP ≤ 55.65
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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Frequently Asked Questions

What is the IUPAC name of 1-(6-methylheptyl)-6-(5-methylhexyl)-2H-pyrazine?
The IUPAC name of 1-(6-methylheptyl)-6-(5-methylhexyl)-2H-pyrazine (CID 123211899) is 1-(6-methylheptyl)-6-(5-methylhexyl)-2H-pyrazine.
What is the SMILES notation for 1-(6-methylheptyl)-6-(5-methylhexyl)-2H-pyrazine?
The canonical SMILES for 1-(6-methylheptyl)-6-(5-methylhexyl)-2H-pyrazine is CC(C)CCCCCN1CC=NC=C1CCCCC(C)C.
What is the InChIKey of 1-(6-methylheptyl)-6-(5-methylhexyl)-2H-pyrazine?
The InChIKey is FIXITTMGCBANGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2/c1-17(2)10-6-5-9-14-21-15-13-20-16-19(21)12-8-7-11-18(3)4/h13,16-18H,5-12,14-15H2,1-4H3.
What are the key properties of 1-(6-methylheptyl)-6-(5-methylhexyl)-2H-pyrazine?
1-(6-methylheptyl)-6-(5-methylhexyl)-2H-pyrazine has a molecular weight of 292.51 g/mol, XLogP of 5.65, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylheptyl)-6-(5-methylhexyl)-2H-pyrazine is sourced from PubChem (CID 123211899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).