bis(2-methylpropane);quinoline

C26H34N2 — CID 159945466

IUPACbis(2-methylpropane);quinoline
SMILESCC(C)C.CC(C)C.c1ccc2ncccc2c1.c1ccc2ncccc2c1
InChIInChI=1S/2C9H7N.2C4H10/c2*1-2-6-9-8(4-1)5-3-7-10-9;2*1-4(2)3/h2*1-7H;2*4H,1-3H3
InChIKeyOBKRGNMHQUUGMD-UHFFFAOYSA-N
MW374.57 g/mol
LogP7.79
Rot. Bonds

About bis(2-methylpropane);quinoline

bis(2-methylpropane);quinoline (PubChem CID 159945466) has the molecular formula C26H34N2 and a molecular weight of 374.57 g/mol. Its IUPAC name is bis(2-methylpropane);quinoline.

Molecular Properties

Compound Namebis(2-methylpropane);quinoline
PubChem CID159945466
Molecular FormulaC26H34N2
Molecular Weight374.57 g/mol
Exact Mass374.27
IUPAC Namebis(2-methylpropane);quinoline
SMILESCC(C)C.CC(C)C.c1ccc2ncccc2c1.c1ccc2ncccc2c1
InChIInChI=1S/2C9H7N.2C4H10/c2*1-2-6-9-8(4-1)5-3-7-10-9;2*1-4(2)3/h2*1-7H;2*4H,1-3H3
InChIKeyOBKRGNMHQUUGMD-UHFFFAOYSA-N
XLogP7.79
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.57
LogP ≤ 57.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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propan-2-ol;quinoline
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quinoline
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quinoline;tetramethylsilane
CID 91292784
osmium(2+);quinoline
CID 158407120
quinoline;silver
CID 88761492
CID 175273158
CID 175273158
hydron;quinoline
CID 131854096
CID 159709187
CID 159709187
platinum(2+);quinoline
CID 50910245
N,N-dimethylmethanamine;quinoline
CID 174404526
ethane;methanol;quinoline
CID 90686502

Frequently Asked Questions

What is the IUPAC name of bis(2-methylpropane);quinoline?
The IUPAC name of bis(2-methylpropane);quinoline (CID 159945466) is bis(2-methylpropane);quinoline.
What is the SMILES notation for bis(2-methylpropane);quinoline?
The canonical SMILES for bis(2-methylpropane);quinoline is CC(C)C.CC(C)C.c1ccc2ncccc2c1.c1ccc2ncccc2c1.
What is the InChIKey of bis(2-methylpropane);quinoline?
The InChIKey is OBKRGNMHQUUGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H7N.2C4H10/c2*1-2-6-9-8(4-1)5-3-7-10-9;2*1-4(2)3/h2*1-7H;2*4H,1-3H3.
What are the key properties of bis(2-methylpropane);quinoline?
bis(2-methylpropane);quinoline has a molecular weight of 374.57 g/mol, XLogP of 7.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpropane);quinoline is sourced from PubChem (CID 159945466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).