2-nonan-5-yl-6-pentylpyrazine

C18H32N2 — CID 518702

IUPAC2-nonan-5-yl-6-pentylpyrazine
SMILESCCCCCc1cncc(C(CCCC)CCCC)n1
InChIInChI=1S/C18H32N2/c1-4-7-10-13-17-14-19-15-18(20-17)16(11-8-5-2)12-9-6-3/h14-16H,4-13H2,1-3H3
InChIKeyCTELUPPQUSAMGW-UHFFFAOYSA-N
MW276.47 g/mol
LogP5.67
Rot. Bonds11

About 2-nonan-5-yl-6-pentylpyrazine

2-nonan-5-yl-6-pentylpyrazine (PubChem CID 518702) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 2-nonan-5-yl-6-pentylpyrazine.

Molecular Properties

Compound Name2-nonan-5-yl-6-pentylpyrazine
PubChem CID518702
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name2-nonan-5-yl-6-pentylpyrazine
SMILESCCCCCc1cncc(C(CCCC)CCCC)n1
InChIInChI=1S/C18H32N2/c1-4-7-10-13-17-14-19-15-18(20-17)16(11-8-5-2)12-9-6-3/h14-16H,4-13H2,1-3H3
InChIKeyCTELUPPQUSAMGW-UHFFFAOYSA-N
XLogP5.67
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.47
LogP ≤ 55.67
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 2-nonan-5-yl-6-pentylpyrazine?
The IUPAC name of 2-nonan-5-yl-6-pentylpyrazine (CID 518702) is 2-nonan-5-yl-6-pentylpyrazine.
What is the SMILES notation for 2-nonan-5-yl-6-pentylpyrazine?
The canonical SMILES for 2-nonan-5-yl-6-pentylpyrazine is CCCCCc1cncc(C(CCCC)CCCC)n1.
What is the InChIKey of 2-nonan-5-yl-6-pentylpyrazine?
The InChIKey is CTELUPPQUSAMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-4-7-10-13-17-14-19-15-18(20-17)16(11-8-5-2)12-9-6-3/h14-16H,4-13H2,1-3H3.
What are the key properties of 2-nonan-5-yl-6-pentylpyrazine?
2-nonan-5-yl-6-pentylpyrazine has a molecular weight of 276.47 g/mol, XLogP of 5.67, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nonan-5-yl-6-pentylpyrazine is sourced from PubChem (CID 518702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).