bis(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine)

C32H44N4 — CID 158875666

IUPACbis(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine)
SMILESCC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnc1
InChIInChI=1S/4C8H11N/c2*1-7(2)8-4-3-5-9-6-8;2*1-7(2)8-5-3-4-6-9-8/h4*3-7H,1-2H3
InChIKeyJCKALEXVZTUDCY-UHFFFAOYSA-N
MW484.73 g/mol
LogP8.82
Rot. Bonds4

About bis(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine)

bis(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine) (PubChem CID 158875666) has the molecular formula C32H44N4 and a molecular weight of 484.73 g/mol. Its IUPAC name is bis(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine).

Molecular Properties

Compound Namebis(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine)
PubChem CID158875666
Molecular FormulaC32H44N4
Molecular Weight484.73 g/mol
Exact Mass484.36
IUPAC Namebis(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine)
SMILESCC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnc1
InChIInChI=1S/4C8H11N/c2*1-7(2)8-4-3-5-9-6-8;2*1-7(2)8-5-3-4-6-9-8/h4*3-7H,1-2H3
InChIKeyJCKALEXVZTUDCY-UHFFFAOYSA-N
XLogP8.82
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.73
LogP ≤ 58.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cumene;ethane;2-propan-2-ylpyridine;3-propan-2-ylpyridine
CID 159528038
2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 155572043
methane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 158880002
cumene;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine
CID 159892681
ethane;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine
CID 159241215
cumene;methane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine
CID 161373838
2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine
CID 157089841
ethane;methane;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine
CID 159280062
cumene;ethane;2-propan-2-ylpyridine
CID 160627938
ethane;methane;2-propan-2-ylpyrazine;3-propan-2-ylpyridine
CID 161329033
hexakis(carbon dioxide);bis(2-methyl-4-propan-2-ylpyridine);2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine
CID 158081858
ethane;2-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 159031608

Frequently Asked Questions

What is the IUPAC name of bis(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine)?
The IUPAC name of bis(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine) (CID 158875666) is bis(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine).
What is the SMILES notation for bis(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine)?
The canonical SMILES for bis(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine) is CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnc1.
What is the InChIKey of bis(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine)?
The InChIKey is JCKALEXVZTUDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/4C8H11N/c2*1-7(2)8-4-3-5-9-6-8;2*1-7(2)8-5-3-4-6-9-8/h4*3-7H,1-2H3.
What are the key properties of bis(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine)?
bis(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine) has a molecular weight of 484.73 g/mol, XLogP of 8.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine) is sourced from PubChem (CID 158875666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).