2-(2-methylnonan-2-yl)-8-(5-methylundecan-5-yl)quinoxaline

C30H50N2 — CID 134415178

IUPAC2-(2-methylnonan-2-yl)-8-(5-methylundecan-5-yl)quinoxaline
SMILESCCCCCCCC(C)(C)c1cnc2cccc(C(C)(CCCC)CCCCCC)c2n1
InChIInChI=1S/C30H50N2/c1-7-10-13-15-16-21-29(4,5)27-24-31-26-20-18-19-25(28(26)32-27)30(6,22-12-9-3)23-17-14-11-8-2/h18-20,24H,7-17,21-23H2,1-6H3
InChIKeyNIHJYSUKGBCQGN-UHFFFAOYSA-N
MW438.74 g/mol
LogP9.69
Rot. Bonds16

About 2-(2-methylnonan-2-yl)-8-(5-methylundecan-5-yl)quinoxaline

2-(2-methylnonan-2-yl)-8-(5-methylundecan-5-yl)quinoxaline (PubChem CID 134415178) has the molecular formula C30H50N2 and a molecular weight of 438.74 g/mol. Its IUPAC name is 2-(2-methylnonan-2-yl)-8-(5-methylundecan-5-yl)quinoxaline.

Molecular Properties

Compound Name2-(2-methylnonan-2-yl)-8-(5-methylundecan-5-yl)quinoxaline
PubChem CID134415178
Molecular FormulaC30H50N2
Molecular Weight438.74 g/mol
Exact Mass438.40
IUPAC Name2-(2-methylnonan-2-yl)-8-(5-methylundecan-5-yl)quinoxaline
SMILESCCCCCCCC(C)(C)c1cnc2cccc(C(C)(CCCC)CCCCCC)c2n1
InChIInChI=1S/C30H50N2/c1-7-10-13-15-16-21-29(4,5)27-24-31-26-20-18-19-25(28(26)32-27)30(6,22-12-9-3)23-17-14-11-8-2/h18-20,24H,7-17,21-23H2,1-6H3
InChIKeyNIHJYSUKGBCQGN-UHFFFAOYSA-N
XLogP9.69
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.74
LogP ≤ 59.69
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-(2-methylbutan-2-yl)-6-(2-methyloctan-2-yl)quinoxaline
CID 134415208
2-fluoro-3-(5-methylundecan-5-yl)pyridine
CID 139342335
2-(5-methyldodecan-5-yl)-4-(7-methyltridecan-7-yl)pyrido[3,2-d]pyrimidine
CID 154946377
1-fluoro-2-(2-methyloctan-2-yl)benzene
CID 155122993
2-fluoro-6-(5-methyldodecan-5-yl)pyridine
CID 138690442
2,6-bis(2-methyloctan-2-yl)phenol
CID 87300429
1-methyl-2-(2-methylnonan-2-yl)benzene
CID 173398829
4-methyl-3-(6-methyldodecan-6-yl)pyridine
CID 134177281
1-methoxy-2-(9-methylnonadecan-9-yl)benzene
CID 135163718
2-(2-methyltetradecan-2-yl)aniline
CID 46835335
1,2-dimethyl-3-(2-methylheptan-2-yl)benzene
CID 175950206
1-(5-methyldodecan-5-yl)-2-nitrobenzene
CID 134225641

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylnonan-2-yl)-8-(5-methylundecan-5-yl)quinoxaline?
The IUPAC name of 2-(2-methylnonan-2-yl)-8-(5-methylundecan-5-yl)quinoxaline (CID 134415178) is 2-(2-methylnonan-2-yl)-8-(5-methylundecan-5-yl)quinoxaline.
What is the SMILES notation for 2-(2-methylnonan-2-yl)-8-(5-methylundecan-5-yl)quinoxaline?
The canonical SMILES for 2-(2-methylnonan-2-yl)-8-(5-methylundecan-5-yl)quinoxaline is CCCCCCCC(C)(C)c1cnc2cccc(C(C)(CCCC)CCCCCC)c2n1.
What is the InChIKey of 2-(2-methylnonan-2-yl)-8-(5-methylundecan-5-yl)quinoxaline?
The InChIKey is NIHJYSUKGBCQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H50N2/c1-7-10-13-15-16-21-29(4,5)27-24-31-26-20-18-19-25(28(26)32-27)30(6,22-12-9-3)23-17-14-11-8-2/h18-20,24H,7-17,21-23H2,1-6H3.
What are the key properties of 2-(2-methylnonan-2-yl)-8-(5-methylundecan-5-yl)quinoxaline?
2-(2-methylnonan-2-yl)-8-(5-methylundecan-5-yl)quinoxaline has a molecular weight of 438.74 g/mol, XLogP of 9.69, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylnonan-2-yl)-8-(5-methylundecan-5-yl)quinoxaline is sourced from PubChem (CID 134415178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).