ethane;bis(2-propan-2-ylbenzonitrile)

C22H28N2 — CID 67297775

IUPACethane;bis(2-propan-2-ylbenzonitrile)
SMILESCC.CC(C)c1ccccc1C#N.CC(C)c1ccccc1C#N
InChIInChI=1S/2C10H11N.C2H6/c2*1-8(2)10-6-4-3-5-9(10)7-11;1-2/h2*3-6,8H,1-2H3;1-2H3
InChIKeyOPUFERRAJKUDLO-UHFFFAOYSA-N
MW320.48 g/mol
LogP6.39
Rot. Bonds2

About ethane;bis(2-propan-2-ylbenzonitrile)

ethane;bis(2-propan-2-ylbenzonitrile) (PubChem CID 67297775) has the molecular formula C22H28N2 and a molecular weight of 320.48 g/mol. Its IUPAC name is ethane;bis(2-propan-2-ylbenzonitrile).

Molecular Properties

Compound Nameethane;bis(2-propan-2-ylbenzonitrile)
PubChem CID67297775
Molecular FormulaC22H28N2
Molecular Weight320.48 g/mol
Exact Mass320.23
IUPAC Nameethane;bis(2-propan-2-ylbenzonitrile)
SMILESCC.CC(C)c1ccccc1C#N.CC(C)c1ccccc1C#N
InChIInChI=1S/2C10H11N.C2H6/c2*1-8(2)10-6-4-3-5-9(10)7-11;1-2/h2*3-6,8H,1-2H3;1-2H3
InChIKeyOPUFERRAJKUDLO-UHFFFAOYSA-N
XLogP6.39
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.48
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(2-cyano-6-propan-2-ylphenyl) hypoiodite
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CID 22688243
2-cyano-6-propan-2-ylbenzoic acid
CID 131220096
2-[(1S)-1-amino-4-methylpentyl]benzonitrile
CID 171221611
1,4-bis[2-(2-propan-2-ylphenyl)ethynyl]benzene
CID 135021566
2-[amino(hydroxy)methyl]benzonitrile
CID 22991713
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CID 122607615

Frequently Asked Questions

What is the IUPAC name of ethane;bis(2-propan-2-ylbenzonitrile)?
The IUPAC name of ethane;bis(2-propan-2-ylbenzonitrile) (CID 67297775) is ethane;bis(2-propan-2-ylbenzonitrile).
What is the SMILES notation for ethane;bis(2-propan-2-ylbenzonitrile)?
The canonical SMILES for ethane;bis(2-propan-2-ylbenzonitrile) is CC.CC(C)c1ccccc1C#N.CC(C)c1ccccc1C#N.
What is the InChIKey of ethane;bis(2-propan-2-ylbenzonitrile)?
The InChIKey is OPUFERRAJKUDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H11N.C2H6/c2*1-8(2)10-6-4-3-5-9(10)7-11;1-2/h2*3-6,8H,1-2H3;1-2H3.
What are the key properties of ethane;bis(2-propan-2-ylbenzonitrile)?
ethane;bis(2-propan-2-ylbenzonitrile) has a molecular weight of 320.48 g/mol, XLogP of 6.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;bis(2-propan-2-ylbenzonitrile) is sourced from PubChem (CID 67297775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).