1-(3-methylbutyl)-5-(7-methyloctyl)-2H-pyrazine

C18H34N2 — CID 123474836

IUPAC1-(3-methylbutyl)-5-(7-methyloctyl)-2H-pyrazine
SMILESCC(C)CCCCCCC1=CN(CCC(C)C)CC=N1
InChIInChI=1S/C18H34N2/c1-16(2)9-7-5-6-8-10-18-15-20(14-12-19-18)13-11-17(3)4/h12,15-17H,5-11,13-14H2,1-4H3
InChIKeyYDBSUEIAICEQLF-UHFFFAOYSA-N
MW278.48 g/mol
LogP5.26
Rot. Bonds10

About 1-(3-methylbutyl)-5-(7-methyloctyl)-2H-pyrazine

1-(3-methylbutyl)-5-(7-methyloctyl)-2H-pyrazine (PubChem CID 123474836) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 1-(3-methylbutyl)-5-(7-methyloctyl)-2H-pyrazine.

Molecular Properties

Compound Name1-(3-methylbutyl)-5-(7-methyloctyl)-2H-pyrazine
PubChem CID123474836
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name1-(3-methylbutyl)-5-(7-methyloctyl)-2H-pyrazine
SMILESCC(C)CCCCCCC1=CN(CCC(C)C)CC=N1
InChIInChI=1S/C18H34N2/c1-16(2)9-7-5-6-8-10-18-15-20(14-12-19-18)13-11-17(3)4/h12,15-17H,5-11,13-14H2,1-4H3
InChIKeyYDBSUEIAICEQLF-UHFFFAOYSA-N
XLogP5.26
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.48
LogP ≤ 55.26
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
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
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
1-(4-methylpentyl)-6-(7-methylundecyl)-2H-pyrazine
CID 123998901
(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
1-undec-1-en-2-yl-2H-pyrazine
CID 155610197
N-butyl-2-(3-methylcyclobutyl)-N-prop-1-en-2-yl-3,4-dihydropyridin-5-amine
CID 167004349
N,2,6-trimethyl-N-[(Z)-2-(methylideneamino)pent-1-enyl]octan-2-amine
CID 167301621

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)-5-(7-methyloctyl)-2H-pyrazine?
The IUPAC name of 1-(3-methylbutyl)-5-(7-methyloctyl)-2H-pyrazine (CID 123474836) is 1-(3-methylbutyl)-5-(7-methyloctyl)-2H-pyrazine.
What is the SMILES notation for 1-(3-methylbutyl)-5-(7-methyloctyl)-2H-pyrazine?
The canonical SMILES for 1-(3-methylbutyl)-5-(7-methyloctyl)-2H-pyrazine is CC(C)CCCCCCC1=CN(CCC(C)C)CC=N1.
What is the InChIKey of 1-(3-methylbutyl)-5-(7-methyloctyl)-2H-pyrazine?
The InChIKey is YDBSUEIAICEQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-16(2)9-7-5-6-8-10-18-15-20(14-12-19-18)13-11-17(3)4/h12,15-17H,5-11,13-14H2,1-4H3.
What are the key properties of 1-(3-methylbutyl)-5-(7-methyloctyl)-2H-pyrazine?
1-(3-methylbutyl)-5-(7-methyloctyl)-2H-pyrazine has a molecular weight of 278.48 g/mol, XLogP of 5.26, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-5-(7-methyloctyl)-2H-pyrazine is sourced from PubChem (CID 123474836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).