2-ethyl-2-(2-phenylphenyl)pentanenitrile

C19H21N — CID 68777509

IUPAC2-ethyl-2-(2-phenylphenyl)pentanenitrile
SMILESCCCC(C#N)(CC)c1ccccc1-c1ccccc1
InChIInChI=1S/C19H21N/c1-3-14-19(4-2,15-20)18-13-9-8-12-17(18)16-10-6-5-7-11-16/h5-13H,3-4,14H2,1-2H3
InChIKeyNRHBKIUIMFMJFH-UHFFFAOYSA-N
MW263.38 g/mol
LogP5.33
Rot. Bonds5

About 2-ethyl-2-(2-phenylphenyl)pentanenitrile

2-ethyl-2-(2-phenylphenyl)pentanenitrile (PubChem CID 68777509) has the molecular formula C19H21N and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-ethyl-2-(2-phenylphenyl)pentanenitrile.

Molecular Properties

Compound Name2-ethyl-2-(2-phenylphenyl)pentanenitrile
PubChem CID68777509
Molecular FormulaC19H21N
Molecular Weight263.38 g/mol
Exact Mass263.17
IUPAC Name2-ethyl-2-(2-phenylphenyl)pentanenitrile
SMILESCCCC(C#N)(CC)c1ccccc1-c1ccccc1
InChIInChI=1S/C19H21N/c1-3-14-19(4-2,15-20)18-13-9-8-12-17(18)16-10-6-5-7-11-16/h5-13H,3-4,14H2,1-2H3
InChIKeyNRHBKIUIMFMJFH-UHFFFAOYSA-N
XLogP5.33
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.38
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(2-phenylphenyl)pentanenitrile?
The IUPAC name of 2-ethyl-2-(2-phenylphenyl)pentanenitrile (CID 68777509) is 2-ethyl-2-(2-phenylphenyl)pentanenitrile.
What is the SMILES notation for 2-ethyl-2-(2-phenylphenyl)pentanenitrile?
The canonical SMILES for 2-ethyl-2-(2-phenylphenyl)pentanenitrile is CCCC(C#N)(CC)c1ccccc1-c1ccccc1.
What is the InChIKey of 2-ethyl-2-(2-phenylphenyl)pentanenitrile?
The InChIKey is NRHBKIUIMFMJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N/c1-3-14-19(4-2,15-20)18-13-9-8-12-17(18)16-10-6-5-7-11-16/h5-13H,3-4,14H2,1-2H3.
What are the key properties of 2-ethyl-2-(2-phenylphenyl)pentanenitrile?
2-ethyl-2-(2-phenylphenyl)pentanenitrile has a molecular weight of 263.38 g/mol, XLogP of 5.33, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(2-phenylphenyl)pentanenitrile is sourced from PubChem (CID 68777509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).