1-(4-methylpentyl)-6-(7-methylundecyl)-2H-pyrazine

C22H42N2 — CID 123998901

IUPAC1-(4-methylpentyl)-6-(7-methylundecyl)-2H-pyrazine
SMILESCCCCC(C)CCCCCCC1=CN=CCN1CCCC(C)C
InChIInChI=1S/C22H42N2/c1-5-6-13-21(4)14-9-7-8-10-15-22-19-23-16-18-24(22)17-11-12-20(2)3/h16,19-21H,5-15,17-18H2,1-4H3
InChIKeyBGPSOXYKUDMOHT-UHFFFAOYSA-N
MW334.59 g/mol
LogP6.82
Rot. Bonds14

About 1-(4-methylpentyl)-6-(7-methylundecyl)-2H-pyrazine

1-(4-methylpentyl)-6-(7-methylundecyl)-2H-pyrazine (PubChem CID 123998901) has the molecular formula C22H42N2 and a molecular weight of 334.59 g/mol. Its IUPAC name is 1-(4-methylpentyl)-6-(7-methylundecyl)-2H-pyrazine.

Molecular Properties

Compound Name1-(4-methylpentyl)-6-(7-methylundecyl)-2H-pyrazine
PubChem CID123998901
Molecular FormulaC22H42N2
Molecular Weight334.59 g/mol
Exact Mass334.33
IUPAC Name1-(4-methylpentyl)-6-(7-methylundecyl)-2H-pyrazine
SMILESCCCCC(C)CCCCCCC1=CN=CCN1CCCC(C)C
InChIInChI=1S/C22H42N2/c1-5-6-13-21(4)14-9-7-8-10-15-22-19-23-16-18-24(22)17-11-12-20(2)3/h16,19-21H,5-15,17-18H2,1-4H3
InChIKeyBGPSOXYKUDMOHT-UHFFFAOYSA-N
XLogP6.82
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.59
LogP ≤ 56.82
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

8-ethyl-6,6-dimethyl-7,8,9,10-tetrahydro-4H-pyrazino[1,2-a]azepine
CID 70961495
Heptadec-1-en-2-yl-(2-imino-4-methylhexan-3-yl)-methylideneazanium
CID 91022480
6-(5-ethylheptyl)-1-(3-methylbutyl)-2H-pyrazine
CID 123149816
1-(6-methylheptyl)-6-(5-methylhexyl)-2H-pyrazine
CID 123211899
N,8-diethyl-2-(methylideneamino)-N-(4-methylpentyl)dec-1-en-1-amine
CID 123304887
2-Ethylheptylidene-hex-1-en-2-yl-methylazanium
CID 123416280
1-(3-methylbutyl)-5-(7-methyloctyl)-2H-pyrazine
CID 123474836
N,N,3-triethyl-3,4-dihydropyridin-5-amine
CID 123613286
N-methyl-5-(methyliminomethyl)-N-propylhept-1-en-2-amine
CID 123731062
6-ethyl-N,2,2,4,4,6-hexamethyl-N-[3,3,5-trimethyl-5-[5-methylidene-4-(3-methylpentan-3-yl)pyrazin-2-yl]-2-(propan-2-ylideneamino)hex-1-enyl]octan-1-amine
CID 123798797
(Z)-N,7-dimethyl-1-(methylideneamino)-N-(2-methylpropyl)oct-1-en-2-amine
CID 134313931
N-[(Z)-2-(ethylideneamino)-3-hexyldec-1-enyl]ethanimine
CID 134419948

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpentyl)-6-(7-methylundecyl)-2H-pyrazine?
The IUPAC name of 1-(4-methylpentyl)-6-(7-methylundecyl)-2H-pyrazine (CID 123998901) is 1-(4-methylpentyl)-6-(7-methylundecyl)-2H-pyrazine.
What is the SMILES notation for 1-(4-methylpentyl)-6-(7-methylundecyl)-2H-pyrazine?
The canonical SMILES for 1-(4-methylpentyl)-6-(7-methylundecyl)-2H-pyrazine is CCCCC(C)CCCCCCC1=CN=CCN1CCCC(C)C.
What is the InChIKey of 1-(4-methylpentyl)-6-(7-methylundecyl)-2H-pyrazine?
The InChIKey is BGPSOXYKUDMOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N2/c1-5-6-13-21(4)14-9-7-8-10-15-22-19-23-16-18-24(22)17-11-12-20(2)3/h16,19-21H,5-15,17-18H2,1-4H3.
What are the key properties of 1-(4-methylpentyl)-6-(7-methylundecyl)-2H-pyrazine?
1-(4-methylpentyl)-6-(7-methylundecyl)-2H-pyrazine has a molecular weight of 334.59 g/mol, XLogP of 6.82, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpentyl)-6-(7-methylundecyl)-2H-pyrazine is sourced from PubChem (CID 123998901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).