4-(dimethylamino)-2,2-diphenylbutanenitrile

C18H20N2 — CID 24060

IUPAC4-(dimethylamino)-2,2-diphenylbutanenitrile
SMILESCN(C)CCC(C#N)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20N2/c1-20(2)14-13-18(15-19,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12H,13-14H2,1-2H3
InChIKeySZOCKYDZSPRJPT-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.45
Rot. Bonds5

About 4-(dimethylamino)-2,2-diphenylbutanenitrile

4-(dimethylamino)-2,2-diphenylbutanenitrile (PubChem CID 24060) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-(dimethylamino)-2,2-diphenylbutanenitrile.

Molecular Properties

Compound Name4-(dimethylamino)-2,2-diphenylbutanenitrile
PubChem CID24060
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name4-(dimethylamino)-2,2-diphenylbutanenitrile
SMILESCN(C)CCC(C#N)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20N2/c1-20(2)14-13-18(15-19,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12H,13-14H2,1-2H3
InChIKeySZOCKYDZSPRJPT-UHFFFAOYSA-N
XLogP3.45
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2,2-diphenylbutanenitrile?
The IUPAC name of 4-(dimethylamino)-2,2-diphenylbutanenitrile (CID 24060) is 4-(dimethylamino)-2,2-diphenylbutanenitrile.
What is the SMILES notation for 4-(dimethylamino)-2,2-diphenylbutanenitrile?
The canonical SMILES for 4-(dimethylamino)-2,2-diphenylbutanenitrile is CN(C)CCC(C#N)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-(dimethylamino)-2,2-diphenylbutanenitrile?
The InChIKey is SZOCKYDZSPRJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-20(2)14-13-18(15-19,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12H,13-14H2,1-2H3.
What are the key properties of 4-(dimethylamino)-2,2-diphenylbutanenitrile?
4-(dimethylamino)-2,2-diphenylbutanenitrile has a molecular weight of 264.37 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2,2-diphenylbutanenitrile is sourced from PubChem (CID 24060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).