cumene;ethane;2-propan-2-ylpyridine

C32H53N — CID 160627938

IUPACcumene;ethane;2-propan-2-ylpyridine
SMILESCC.CC.CC.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccn1
InChIInChI=1S/2C9H12.C8H11N.3C2H6/c2*1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-9-8;3*1-2/h2*3-8H,1-2H3;3-7H,1-2H3;3*1-2H3
InChIKeyRHNXTTQASLMAFV-UHFFFAOYSA-N
MW451.78 g/mol
LogP10.90
Rot. Bonds3

About cumene;ethane;2-propan-2-ylpyridine

cumene;ethane;2-propan-2-ylpyridine (PubChem CID 160627938) has the molecular formula C32H53N and a molecular weight of 451.78 g/mol. Its IUPAC name is cumene;ethane;2-propan-2-ylpyridine.

Molecular Properties

Compound Namecumene;ethane;2-propan-2-ylpyridine
PubChem CID160627938
Molecular FormulaC32H53N
Molecular Weight451.78 g/mol
Exact Mass451.42
IUPAC Namecumene;ethane;2-propan-2-ylpyridine
SMILESCC.CC.CC.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccn1
InChIInChI=1S/2C9H12.C8H11N.3C2H6/c2*1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-9-8;3*1-2/h2*3-8H,1-2H3;3-7H,1-2H3;3*1-2H3
InChIKeyRHNXTTQASLMAFV-UHFFFAOYSA-N
XLogP10.90
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.78
LogP ≤ 510.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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ethane;2-methylpropane;2-propan-2-ylpyridine
CID 160963174
cumene;ethane;1-methyl-4-propan-2-ylpyridin-1-ium;2-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 158640767
bis(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine)
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2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene
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methane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine
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cumene;ethane
CID 54306132
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Frequently Asked Questions

What is the IUPAC name of cumene;ethane;2-propan-2-ylpyridine?
The IUPAC name of cumene;ethane;2-propan-2-ylpyridine (CID 160627938) is cumene;ethane;2-propan-2-ylpyridine.
What is the SMILES notation for cumene;ethane;2-propan-2-ylpyridine?
The canonical SMILES for cumene;ethane;2-propan-2-ylpyridine is CC.CC.CC.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccn1.
What is the InChIKey of cumene;ethane;2-propan-2-ylpyridine?
The InChIKey is RHNXTTQASLMAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H12.C8H11N.3C2H6/c2*1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-9-8;3*1-2/h2*3-8H,1-2H3;3-7H,1-2H3;3*1-2H3.
What are the key properties of cumene;ethane;2-propan-2-ylpyridine?
cumene;ethane;2-propan-2-ylpyridine has a molecular weight of 451.78 g/mol, XLogP of 10.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;ethane;2-propan-2-ylpyridine is sourced from PubChem (CID 160627938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).