ethane;bis(2-methylpropane);bis(pyridine)

C22H42N2 — CID 161330339

IUPACethane;bis(2-methylpropane);bis(pyridine)
SMILESCC.CC.CC(C)C.CC(C)C.c1ccncc1.c1ccncc1
InChIInChI=1S/2C5H5N.2C4H10.2C2H6/c2*1-2-4-6-5-3-1;2*1-4(2)3;2*1-2/h2*1-5H;2*4H,1-3H3;2*1-2H3
InChIKeyVLIHBZASWGLLLV-UHFFFAOYSA-N
MW334.59 g/mol
LogP7.54
Rot. Bonds

About ethane;bis(2-methylpropane);bis(pyridine)

ethane;bis(2-methylpropane);bis(pyridine) (PubChem CID 161330339) has the molecular formula C22H42N2 and a molecular weight of 334.59 g/mol. Its IUPAC name is ethane;bis(2-methylpropane);bis(pyridine).

Molecular Properties

Compound Nameethane;bis(2-methylpropane);bis(pyridine)
PubChem CID161330339
Molecular FormulaC22H42N2
Molecular Weight334.59 g/mol
Exact Mass334.33
IUPAC Nameethane;bis(2-methylpropane);bis(pyridine)
SMILESCC.CC.CC(C)C.CC(C)C.c1ccncc1.c1ccncc1
InChIInChI=1S/2C5H5N.2C4H10.2C2H6/c2*1-2-4-6-5-3-1;2*1-4(2)3;2*1-2/h2*1-5H;2*4H,1-3H3;2*1-2H3
InChIKeyVLIHBZASWGLLLV-UHFFFAOYSA-N
XLogP7.54
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.59
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;methane;tetrakis(2-methylpropane);pyridine;pyrimidine
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ethane;methane;pyridine
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tetrakis(2-methylpropane);pyrazine;bis(pyridine);pyrimidine
CID 169425697
azane;carbonic acid;2-methylpropane;pyridine
CID 174640229
CID 91266138
CID 91266138
ethane;methanamine;pyridine
CID 90762425
pyridine
CID 160878650
pyridine
CID 67755510
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CID 90280949
1,5-diazecine
CID 53440348
cumene;ethane;bis(2-methylpropane);pyrazine;pyridine
CID 160911443
benzene;ethane;methane;hexakis(2-methylpropane);pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine
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Frequently Asked Questions

What is the IUPAC name of ethane;bis(2-methylpropane);bis(pyridine)?
The IUPAC name of ethane;bis(2-methylpropane);bis(pyridine) (CID 161330339) is ethane;bis(2-methylpropane);bis(pyridine).
What is the SMILES notation for ethane;bis(2-methylpropane);bis(pyridine)?
The canonical SMILES for ethane;bis(2-methylpropane);bis(pyridine) is CC.CC.CC(C)C.CC(C)C.c1ccncc1.c1ccncc1.
What is the InChIKey of ethane;bis(2-methylpropane);bis(pyridine)?
The InChIKey is VLIHBZASWGLLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5N.2C4H10.2C2H6/c2*1-2-4-6-5-3-1;2*1-4(2)3;2*1-2/h2*1-5H;2*4H,1-3H3;2*1-2H3.
What are the key properties of ethane;bis(2-methylpropane);bis(pyridine)?
ethane;bis(2-methylpropane);bis(pyridine) has a molecular weight of 334.59 g/mol, XLogP of 7.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;bis(2-methylpropane);bis(pyridine) is sourced from PubChem (CID 161330339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).