bis(2,2-dimethylpropane);ethane;quinoline

C30H44N2 — CID 159309624

IUPACbis(2,2-dimethylpropane);ethane;quinoline
SMILESCC.CC(C)(C)C.CC(C)(C)C.c1ccc2ncccc2c1.c1ccc2ncccc2c1
InChIInChI=1S/2C9H7N.2C5H12.C2H6/c2*1-2-6-9-8(4-1)5-3-7-10-9;2*1-5(2,3)4;1-2/h2*1-7H;2*1-4H3;1-2H3
InChIKeyLCJHFHWHERYDEQ-UHFFFAOYSA-N
MW432.70 g/mol
LogP9.60
Rot. Bonds

About bis(2,2-dimethylpropane);ethane;quinoline

bis(2,2-dimethylpropane);ethane;quinoline (PubChem CID 159309624) has the molecular formula C30H44N2 and a molecular weight of 432.70 g/mol. Its IUPAC name is bis(2,2-dimethylpropane);ethane;quinoline.

Molecular Properties

Compound Namebis(2,2-dimethylpropane);ethane;quinoline
PubChem CID159309624
Molecular FormulaC30H44N2
Molecular Weight432.70 g/mol
Exact Mass432.35
IUPAC Namebis(2,2-dimethylpropane);ethane;quinoline
SMILESCC.CC(C)(C)C.CC(C)(C)C.c1ccc2ncccc2c1.c1ccc2ncccc2c1
InChIInChI=1S/2C9H7N.2C5H12.C2H6/c2*1-2-6-9-8(4-1)5-3-7-10-9;2*1-5(2,3)4;1-2/h2*1-7H;2*1-4H3;1-2H3
InChIKeyLCJHFHWHERYDEQ-UHFFFAOYSA-N
XLogP9.60
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.70
LogP ≤ 59.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;methanol;quinoline
CID 90686502
quinoline
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quinoline;tetramethylsilane
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osmium(2+);quinoline
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quinoline;silver
CID 88761492
CID 175273158
CID 175273158
hydron;quinoline
CID 131854096
platinum(2+);quinoline
CID 50910245
CID 159709187
CID 159709187
N,N-dimethylmethanamine;quinoline
CID 174404526
bis(2-methylpropane);quinoline
CID 159945466
N-methylmethanamine;quinoline
CID 155742214

Frequently Asked Questions

What is the IUPAC name of bis(2,2-dimethylpropane);ethane;quinoline?
The IUPAC name of bis(2,2-dimethylpropane);ethane;quinoline (CID 159309624) is bis(2,2-dimethylpropane);ethane;quinoline.
What is the SMILES notation for bis(2,2-dimethylpropane);ethane;quinoline?
The canonical SMILES for bis(2,2-dimethylpropane);ethane;quinoline is CC.CC(C)(C)C.CC(C)(C)C.c1ccc2ncccc2c1.c1ccc2ncccc2c1.
What is the InChIKey of bis(2,2-dimethylpropane);ethane;quinoline?
The InChIKey is LCJHFHWHERYDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H7N.2C5H12.C2H6/c2*1-2-6-9-8(4-1)5-3-7-10-9;2*1-5(2,3)4;1-2/h2*1-7H;2*1-4H3;1-2H3.
What are the key properties of bis(2,2-dimethylpropane);ethane;quinoline?
bis(2,2-dimethylpropane);ethane;quinoline has a molecular weight of 432.70 g/mol, XLogP of 9.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2-dimethylpropane);ethane;quinoline is sourced from PubChem (CID 159309624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).