2-heptyl-5-(2-methylphenyl)pyrazine

C18H24N2 — CID 59546273

IUPAC2-heptyl-5-(2-methylphenyl)pyrazine
SMILESCCCCCCCc1cnc(-c2ccccc2C)cn1
InChIInChI=1S/C18H24N2/c1-3-4-5-6-7-11-16-13-20-18(14-19-16)17-12-9-8-10-15(17)2/h8-10,12-14H,3-7,11H2,1-2H3
InChIKeyNHDSTQXVFHJQMO-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.96
Rot. Bonds7

About 2-heptyl-5-(2-methylphenyl)pyrazine

2-heptyl-5-(2-methylphenyl)pyrazine (PubChem CID 59546273) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-heptyl-5-(2-methylphenyl)pyrazine.

Molecular Properties

Compound Name2-heptyl-5-(2-methylphenyl)pyrazine
PubChem CID59546273
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name2-heptyl-5-(2-methylphenyl)pyrazine
SMILESCCCCCCCc1cnc(-c2ccccc2C)cn1
InChIInChI=1S/C18H24N2/c1-3-4-5-6-7-11-16-13-20-18(14-19-16)17-12-9-8-10-15(17)2/h8-10,12-14H,3-7,11H2,1-2H3
InChIKeyNHDSTQXVFHJQMO-UHFFFAOYSA-N
XLogP4.96
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.96
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-[2-(5-heptylpyrazin-2-yl)phenyl]-2-methylpentan-1-one
CID 67803241
5-hexyl-2-(2-methylphenyl)-1H-imidazole
CID 176655031
2-butyl-5-methylpyrazine
CID 6428803
4-(5-octylpyrazin-2-yl)benzoic acid
CID 57270036
2-tetradecylquinoxaline
CID 21024312
2-octylquinoxaline
CID 141276580
2-undecylpyridine
CID 66882765
7-tert-butylsulfonyl-1-[5-(2-methylphenyl)pyrazin-2-yl]heptan-2-one
CID 58145429
tetrakis(hexane);tris(1,2-xylene)
CID 173431292
2-butyl-5-(3-fluoro-4-heptoxyphenyl)pyrazine
CID 139625361
2-(4-butoxy-3-fluorophenyl)-5-undecylpyrazine
CID 139625410
2-decyl-5-(3-fluoro-4-hexoxyphenyl)pyrazine
CID 139625367

Frequently Asked Questions

What is the IUPAC name of 2-heptyl-5-(2-methylphenyl)pyrazine?
The IUPAC name of 2-heptyl-5-(2-methylphenyl)pyrazine (CID 59546273) is 2-heptyl-5-(2-methylphenyl)pyrazine.
What is the SMILES notation for 2-heptyl-5-(2-methylphenyl)pyrazine?
The canonical SMILES for 2-heptyl-5-(2-methylphenyl)pyrazine is CCCCCCCc1cnc(-c2ccccc2C)cn1.
What is the InChIKey of 2-heptyl-5-(2-methylphenyl)pyrazine?
The InChIKey is NHDSTQXVFHJQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-3-4-5-6-7-11-16-13-20-18(14-19-16)17-12-9-8-10-15(17)2/h8-10,12-14H,3-7,11H2,1-2H3.
What are the key properties of 2-heptyl-5-(2-methylphenyl)pyrazine?
2-heptyl-5-(2-methylphenyl)pyrazine has a molecular weight of 268.40 g/mol, XLogP of 4.96, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptyl-5-(2-methylphenyl)pyrazine is sourced from PubChem (CID 59546273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).