1-(3-methylbutyl)-6-(5-methylhept-5-enyl)-2H-pyrazine

C17H30N2 — CID 123906249

IUPAC1-(3-methylbutyl)-6-(5-methylhept-5-enyl)-2H-pyrazine
SMILESCC=C(C)CCCCC1=CN=CCN1CCC(C)C
InChIInChI=1S/C17H30N2/c1-5-16(4)8-6-7-9-17-14-18-11-13-19(17)12-10-15(2)3/h5,11,14-15H,6-10,12-13H2,1-4H3
InChIKeySSSYLCVWBJKEOJ-UHFFFAOYSA-N
MW262.44 g/mol
LogP4.79
Rot. Bonds8

About 1-(3-methylbutyl)-6-(5-methylhept-5-enyl)-2H-pyrazine

1-(3-methylbutyl)-6-(5-methylhept-5-enyl)-2H-pyrazine (PubChem CID 123906249) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-(3-methylbutyl)-6-(5-methylhept-5-enyl)-2H-pyrazine.

Molecular Properties

Compound Name1-(3-methylbutyl)-6-(5-methylhept-5-enyl)-2H-pyrazine
PubChem CID123906249
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name1-(3-methylbutyl)-6-(5-methylhept-5-enyl)-2H-pyrazine
SMILESCC=C(C)CCCCC1=CN=CCN1CCC(C)C
InChIInChI=1S/C17H30N2/c1-5-16(4)8-6-7-9-17-14-18-11-13-19(17)12-10-15(2)3/h5,11,14-15H,6-10,12-13H2,1-4H3
InChIKeySSSYLCVWBJKEOJ-UHFFFAOYSA-N
XLogP4.79
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(6-methylheptyl)-6-(5-methylhexyl)-2H-pyrazine
CID 123211899
N,2,4,6-tetramethyl-N-(2-methyliminoethyl)hepta-2,6-dien-3-amine
CID 123380851
1-undec-1-en-2-yl-2H-pyrazine;1-undec-2-en-2-yl-2H-pyrazine
CID 157070850
(3S)-3-methyl-N-[(3Z)-3-methyl-8-(4-methyl-2,3,4,5-tetrahydroazepin-1-yl)nona-3,8-dien-4-yl]pentan-1-imine
CID 173842687
N-methyl-N-(2-methylbut-3-enyl)-2-[(3Z)-2-methylidene-3-prop-2-enylidene-4-pyridinyl]hex-5-en-1-amine
CID 172606854

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)-6-(5-methylhept-5-enyl)-2H-pyrazine?
The IUPAC name of 1-(3-methylbutyl)-6-(5-methylhept-5-enyl)-2H-pyrazine (CID 123906249) is 1-(3-methylbutyl)-6-(5-methylhept-5-enyl)-2H-pyrazine.
What is the SMILES notation for 1-(3-methylbutyl)-6-(5-methylhept-5-enyl)-2H-pyrazine?
The canonical SMILES for 1-(3-methylbutyl)-6-(5-methylhept-5-enyl)-2H-pyrazine is CC=C(C)CCCCC1=CN=CCN1CCC(C)C.
What is the InChIKey of 1-(3-methylbutyl)-6-(5-methylhept-5-enyl)-2H-pyrazine?
The InChIKey is SSSYLCVWBJKEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-5-16(4)8-6-7-9-17-14-18-11-13-19(17)12-10-15(2)3/h5,11,14-15H,6-10,12-13H2,1-4H3.
What are the key properties of 1-(3-methylbutyl)-6-(5-methylhept-5-enyl)-2H-pyrazine?
1-(3-methylbutyl)-6-(5-methylhept-5-enyl)-2H-pyrazine has a molecular weight of 262.44 g/mol, XLogP of 4.79, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-6-(5-methylhept-5-enyl)-2H-pyrazine is sourced from PubChem (CID 123906249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).