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

C32H59N3 — CID 160911443

IUPACcumene;ethane;bis(2-methylpropane);pyrazine;pyridine
SMILESCC.CC.CC.CC(C)C.CC(C)C.CC(C)c1ccccc1.c1ccncc1.c1cnccn1
InChIInChI=1S/C9H12.C5H5N.C4H4N2.2C4H10.3C2H6/c1-8(2)9-6-4-3-5-7-9;1-2-4-6-5-3-1;1-2-6-4-3-5-1;2*1-4(2)3;3*1-2/h3-8H,1-2H3;1-5H;1-4H;2*4H,1-3H3;3*1-2H3
InChIKeySQVKJDOCOYDJES-UHFFFAOYSA-N
MW485.85 g/mol
LogP10.77
Rot. Bonds1

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

cumene;ethane;bis(2-methylpropane);pyrazine;pyridine (PubChem CID 160911443) has the molecular formula C32H59N3 and a molecular weight of 485.85 g/mol. Its IUPAC name is cumene;ethane;bis(2-methylpropane);pyrazine;pyridine.

Molecular Properties

Compound Namecumene;ethane;bis(2-methylpropane);pyrazine;pyridine
PubChem CID160911443
Molecular FormulaC32H59N3
Molecular Weight485.85 g/mol
Exact Mass485.47
IUPAC Namecumene;ethane;bis(2-methylpropane);pyrazine;pyridine
SMILESCC.CC.CC.CC(C)C.CC(C)C.CC(C)c1ccccc1.c1ccncc1.c1cnccn1
InChIInChI=1S/C9H12.C5H5N.C4H4N2.2C4H10.3C2H6/c1-8(2)9-6-4-3-5-7-9;1-2-4-6-5-3-1;1-2-6-4-3-5-1;2*1-4(2)3;3*1-2/h3-8H,1-2H3;1-5H;1-4H;2*4H,1-3H3;3*1-2H3
InChIKeySQVKJDOCOYDJES-UHFFFAOYSA-N
XLogP10.77
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.85
LogP ≤ 510.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of cumene;ethane;bis(2-methylpropane);pyrazine;pyridine?
The IUPAC name of cumene;ethane;bis(2-methylpropane);pyrazine;pyridine (CID 160911443) is cumene;ethane;bis(2-methylpropane);pyrazine;pyridine.
What is the SMILES notation for cumene;ethane;bis(2-methylpropane);pyrazine;pyridine?
The canonical SMILES for cumene;ethane;bis(2-methylpropane);pyrazine;pyridine is CC.CC.CC.CC(C)C.CC(C)C.CC(C)c1ccccc1.c1ccncc1.c1cnccn1.
What is the InChIKey of cumene;ethane;bis(2-methylpropane);pyrazine;pyridine?
The InChIKey is SQVKJDOCOYDJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C5H5N.C4H4N2.2C4H10.3C2H6/c1-8(2)9-6-4-3-5-7-9;1-2-4-6-5-3-1;1-2-6-4-3-5-1;2*1-4(2)3;3*1-2/h3-8H,1-2H3;1-5H;1-4H;2*4H,1-3H3;3*1-2H3.
What are the key properties of cumene;ethane;bis(2-methylpropane);pyrazine;pyridine?
cumene;ethane;bis(2-methylpropane);pyrazine;pyridine has a molecular weight of 485.85 g/mol, XLogP of 10.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;ethane;bis(2-methylpropane);pyrazine;pyridine is sourced from PubChem (CID 160911443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).