2-methyl-3-tridecan-7-ylpyrazine

C18H32N2 — CID 129212900

IUPAC2-methyl-3-tridecan-7-ylpyrazine
SMILESCCCCCCC(CCCCCC)c1nccnc1C
InChIInChI=1S/C18H32N2/c1-4-6-8-10-12-17(13-11-9-7-5-2)18-16(3)19-14-15-20-18/h14-15,17H,4-13H2,1-3H3
InChIKeyVLDSLLWGWUKCCU-UHFFFAOYSA-N
MW276.47 g/mol
LogP5.81
Rot. Bonds11

About 2-methyl-3-tridecan-7-ylpyrazine

2-methyl-3-tridecan-7-ylpyrazine (PubChem CID 129212900) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 2-methyl-3-tridecan-7-ylpyrazine.

Molecular Properties

Compound Name2-methyl-3-tridecan-7-ylpyrazine
PubChem CID129212900
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name2-methyl-3-tridecan-7-ylpyrazine
SMILESCCCCCCC(CCCCCC)c1nccnc1C
InChIInChI=1S/C18H32N2/c1-4-6-8-10-12-17(13-11-9-7-5-2)18-16(3)19-14-15-20-18/h14-15,17H,4-13H2,1-3H3
InChIKeyVLDSLLWGWUKCCU-UHFFFAOYSA-N
XLogP5.81
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 ≤ 55.81
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

2-methyl-3-octan-4-ylpyrazine
CID 144869525
2-[(3R)-decan-3-yl]pyrimidine
CID 177414924
2-tetradecan-7-yl-1,3-thiazole
CID 130410551
2-tridecan-6-ylpyridine
CID 139295924
1-(2-methyl-3-pyridinyl)tridecan-1-amine
CID 105138527
1-(3-methoxypyrazin-2-yl)decan-1-amine
CID 105032041
2-undecan-5-yl-1,3-oxazole
CID 134461094
1-ethyl-3-tridecan-7-yl-1,2,4-triazole
CID 126500080
3-dodecan-6-yl-4-methylpyridine
CID 129130745
4-fluoro-5-tridecan-7-yl-2H-triazole
CID 130311206
N-methyl-1-(2-methyl-3-pyridinyl)octan-1-amine
CID 105124578
3-tridecan-7-yl-1,2-oxazol-4-amine
CID 155010814

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-tridecan-7-ylpyrazine?
The IUPAC name of 2-methyl-3-tridecan-7-ylpyrazine (CID 129212900) is 2-methyl-3-tridecan-7-ylpyrazine.
What is the SMILES notation for 2-methyl-3-tridecan-7-ylpyrazine?
The canonical SMILES for 2-methyl-3-tridecan-7-ylpyrazine is CCCCCCC(CCCCCC)c1nccnc1C.
What is the InChIKey of 2-methyl-3-tridecan-7-ylpyrazine?
The InChIKey is VLDSLLWGWUKCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-4-6-8-10-12-17(13-11-9-7-5-2)18-16(3)19-14-15-20-18/h14-15,17H,4-13H2,1-3H3.
What are the key properties of 2-methyl-3-tridecan-7-ylpyrazine?
2-methyl-3-tridecan-7-ylpyrazine has a molecular weight of 276.47 g/mol, XLogP of 5.81, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-tridecan-7-ylpyrazine is sourced from PubChem (CID 129212900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).