ethane;2-propan-2-ylpyridine;4-propan-2-ylpyridine

C20H34N2 — CID 159031608

IUPACethane;2-propan-2-ylpyridine;4-propan-2-ylpyridine
SMILESCC.CC.CC(C)c1ccccn1.CC(C)c1ccncc1
InChIInChI=1S/2C8H11N.2C2H6/c1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-9-8;2*1-2/h2*3-7H,1-2H3;2*1-2H3
InChIKeyJUYOEARXKZHNJO-UHFFFAOYSA-N
MW302.51 g/mol
LogP6.46
Rot. Bonds2

About ethane;2-propan-2-ylpyridine;4-propan-2-ylpyridine

ethane;2-propan-2-ylpyridine;4-propan-2-ylpyridine (PubChem CID 159031608) has the molecular formula C20H34N2 and a molecular weight of 302.51 g/mol. Its IUPAC name is ethane;2-propan-2-ylpyridine;4-propan-2-ylpyridine.

Molecular Properties

Compound Nameethane;2-propan-2-ylpyridine;4-propan-2-ylpyridine
PubChem CID159031608
Molecular FormulaC20H34N2
Molecular Weight302.51 g/mol
Exact Mass302.27
IUPAC Nameethane;2-propan-2-ylpyridine;4-propan-2-ylpyridine
SMILESCC.CC.CC(C)c1ccccn1.CC(C)c1ccncc1
InChIInChI=1S/2C8H11N.2C2H6/c1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-9-8;2*1-2/h2*3-7H,1-2H3;2*1-2H3
InChIKeyJUYOEARXKZHNJO-UHFFFAOYSA-N
XLogP6.46
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.51
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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cumene;ethane;1-methyl-4-propan-2-ylpyridin-1-ium;2-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 158640767
methane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine
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CID 160963174
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-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene
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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
bis(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine)
CID 158875666
ethane;2-propan-2-ylpyridine;6-propan-2-yl-3H-pyridin-3-ide;rhenium
CID 164573338
2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine
CID 157089841

Frequently Asked Questions

What is the IUPAC name of ethane;2-propan-2-ylpyridine;4-propan-2-ylpyridine?
The IUPAC name of ethane;2-propan-2-ylpyridine;4-propan-2-ylpyridine (CID 159031608) is ethane;2-propan-2-ylpyridine;4-propan-2-ylpyridine.
What is the SMILES notation for ethane;2-propan-2-ylpyridine;4-propan-2-ylpyridine?
The canonical SMILES for ethane;2-propan-2-ylpyridine;4-propan-2-ylpyridine is CC.CC.CC(C)c1ccccn1.CC(C)c1ccncc1.
What is the InChIKey of ethane;2-propan-2-ylpyridine;4-propan-2-ylpyridine?
The InChIKey is JUYOEARXKZHNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H11N.2C2H6/c1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-9-8;2*1-2/h2*3-7H,1-2H3;2*1-2H3.
What are the key properties of ethane;2-propan-2-ylpyridine;4-propan-2-ylpyridine?
ethane;2-propan-2-ylpyridine;4-propan-2-ylpyridine has a molecular weight of 302.51 g/mol, XLogP of 6.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-propan-2-ylpyridine;4-propan-2-ylpyridine is sourced from PubChem (CID 159031608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).