bis(4-tert-butylquinoline);ethane;methane

C31H46N2 — CID 158221775

IUPACbis(4-tert-butylquinoline);ethane;methane
SMILESC.CC.CC.CC(C)(C)c1ccnc2ccccc12.CC(C)(C)c1ccnc2ccccc12
InChIInChI=1S/2C13H15N.2C2H6.CH4/c2*1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;2*1-2;/h2*4-9H,1-3H3;2*1-2H3;1H4
InChIKeyGDIDHPPFCQKZKW-UHFFFAOYSA-N
MW446.72 g/mol
LogP9.75
Rot. Bonds

About bis(4-tert-butylquinoline);ethane;methane

bis(4-tert-butylquinoline);ethane;methane (PubChem CID 158221775) has the molecular formula C31H46N2 and a molecular weight of 446.72 g/mol. Its IUPAC name is bis(4-tert-butylquinoline);ethane;methane.

Molecular Properties

Compound Namebis(4-tert-butylquinoline);ethane;methane
PubChem CID158221775
Molecular FormulaC31H46N2
Molecular Weight446.72 g/mol
Exact Mass446.37
IUPAC Namebis(4-tert-butylquinoline);ethane;methane
SMILESC.CC.CC.CC(C)(C)c1ccnc2ccccc12.CC(C)(C)c1ccnc2ccccc12
InChIInChI=1S/2C13H15N.2C2H6.CH4/c2*1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;2*1-2;/h2*4-9H,1-3H3;2*1-2H3;1H4
InChIKeyGDIDHPPFCQKZKW-UHFFFAOYSA-N
XLogP9.75
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.72
LogP ≤ 59.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-tert-butylacridine;4-tert-butylquinoline;ethane
CID 167564366
4-(2-quinolin-4-yloxypropan-2-yl)quinoline
CID 173219055
ethane;4-methylquinoline
CID 90853056
1-amino-2-methyl-1-quinolin-4-ylpropan-1-ol
CID 71255730
4-(2-methyl-13-quinolin-4-yltridecan-2-yl)quinoline
CID 67368274
5-[1-(8-tert-butylquinolin-5-yl)-2-methylpropan-2-yl]-8-(2-methyl-2-quinolin-4-ylpropyl)quinoline
CID 138750048
4-chloroquinoline;ethane
CID 91461667
4-tert-butyl-6-methoxyquinoline
CID 58989607
tert-butyl-dimethyl-quinolin-4-ylsilane
CID 132526482
argon;4-methylquinoline
CID 175059803
4-tert-butyl-8-chloroquinoline
CID 59637005
5,8-ditert-butylquinoline;ethane
CID 142102448

Frequently Asked Questions

What is the IUPAC name of bis(4-tert-butylquinoline);ethane;methane?
The IUPAC name of bis(4-tert-butylquinoline);ethane;methane (CID 158221775) is bis(4-tert-butylquinoline);ethane;methane.
What is the SMILES notation for bis(4-tert-butylquinoline);ethane;methane?
The canonical SMILES for bis(4-tert-butylquinoline);ethane;methane is C.CC.CC.CC(C)(C)c1ccnc2ccccc12.CC(C)(C)c1ccnc2ccccc12.
What is the InChIKey of bis(4-tert-butylquinoline);ethane;methane?
The InChIKey is GDIDHPPFCQKZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H15N.2C2H6.CH4/c2*1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;2*1-2;/h2*4-9H,1-3H3;2*1-2H3;1H4.
What are the key properties of bis(4-tert-butylquinoline);ethane;methane?
bis(4-tert-butylquinoline);ethane;methane has a molecular weight of 446.72 g/mol, XLogP of 9.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-tert-butylquinoline);ethane;methane is sourced from PubChem (CID 158221775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).