2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine

C24H33N3 — CID 155572043

IUPAC2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine
SMILESCC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1
InChIInChI=1S/3C8H11N/c1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8/h3*3-7H,1-2H3
InChIKeyZGBSPIITCQWXPK-UHFFFAOYSA-N
MW363.55 g/mol
LogP6.61
Rot. Bonds3

About 2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine

2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine (PubChem CID 155572043) has the molecular formula C24H33N3 and a molecular weight of 363.55 g/mol. Its IUPAC name is 2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine.

Molecular Properties

Compound Name2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine
PubChem CID155572043
Molecular FormulaC24H33N3
Molecular Weight363.55 g/mol
Exact Mass363.27
IUPAC Name2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine
SMILESCC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1
InChIInChI=1S/3C8H11N/c1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8/h3*3-7H,1-2H3
InChIKeyZGBSPIITCQWXPK-UHFFFAOYSA-N
XLogP6.61
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.55
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 158880002
bis(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine)
CID 158875666
cumene;ethane;2-propan-2-ylpyridine;3-propan-2-ylpyridine
CID 159528038
ethane;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine
CID 159241215
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
ethane;2-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 159031608
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;4-propan-2-ylpyridazine;bis(2-propan-2-ylpyridine);tris(3-propan-2-ylpyridine);bis(4-propan-2-ylpyridine);4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine
CID 159364646
methane;3-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 177028413
cumene;methane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine
CID 161373838
cumene;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine
CID 159892681

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine?
The IUPAC name of 2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine (CID 155572043) is 2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine.
What is the SMILES notation for 2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine?
The canonical SMILES for 2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine is CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.
What is the InChIKey of 2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine?
The InChIKey is ZGBSPIITCQWXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H11N/c1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8/h3*3-7H,1-2H3.
What are the key properties of 2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine?
2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine has a molecular weight of 363.55 g/mol, XLogP of 6.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine is sourced from PubChem (CID 155572043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).