4-(dimethylamino)-2-[2-(dimethylamino)ethyl]-2-phenylbutanenitrile

C16H25N3 — CID 17761

IUPAC4-(dimethylamino)-2-[2-(dimethylamino)ethyl]-2-phenylbutanenitrile
SMILESCN(C)CCC(C#N)(CCN(C)C)c1ccccc1
InChIInChI=1S/C16H25N3/c1-18(2)12-10-16(14-17,11-13-19(3)4)15-8-6-5-7-9-15/h5-9H,10-13H2,1-4H3
InChIKeyLIESQWIGGCWDMF-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.35
Rot. Bonds7

About 4-(dimethylamino)-2-[2-(dimethylamino)ethyl]-2-phenylbutanenitrile

4-(dimethylamino)-2-[2-(dimethylamino)ethyl]-2-phenylbutanenitrile (PubChem CID 17761) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 4-(dimethylamino)-2-[2-(dimethylamino)ethyl]-2-phenylbutanenitrile.

Molecular Properties

Compound Name4-(dimethylamino)-2-[2-(dimethylamino)ethyl]-2-phenylbutanenitrile
PubChem CID17761
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name4-(dimethylamino)-2-[2-(dimethylamino)ethyl]-2-phenylbutanenitrile
SMILESCN(C)CCC(C#N)(CCN(C)C)c1ccccc1
InChIInChI=1S/C16H25N3/c1-18(2)12-10-16(14-17,11-13-19(3)4)15-8-6-5-7-9-15/h5-9H,10-13H2,1-4H3
InChIKeyLIESQWIGGCWDMF-UHFFFAOYSA-N
XLogP2.35
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2-[2-(dimethylamino)ethyl]-2-phenylbutanenitrile?
The IUPAC name of 4-(dimethylamino)-2-[2-(dimethylamino)ethyl]-2-phenylbutanenitrile (CID 17761) is 4-(dimethylamino)-2-[2-(dimethylamino)ethyl]-2-phenylbutanenitrile.
What is the SMILES notation for 4-(dimethylamino)-2-[2-(dimethylamino)ethyl]-2-phenylbutanenitrile?
The canonical SMILES for 4-(dimethylamino)-2-[2-(dimethylamino)ethyl]-2-phenylbutanenitrile is CN(C)CCC(C#N)(CCN(C)C)c1ccccc1.
What is the InChIKey of 4-(dimethylamino)-2-[2-(dimethylamino)ethyl]-2-phenylbutanenitrile?
The InChIKey is LIESQWIGGCWDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-18(2)12-10-16(14-17,11-13-19(3)4)15-8-6-5-7-9-15/h5-9H,10-13H2,1-4H3.
What are the key properties of 4-(dimethylamino)-2-[2-(dimethylamino)ethyl]-2-phenylbutanenitrile?
4-(dimethylamino)-2-[2-(dimethylamino)ethyl]-2-phenylbutanenitrile has a molecular weight of 259.40 g/mol, XLogP of 2.35, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2-[2-(dimethylamino)ethyl]-2-phenylbutanenitrile is sourced from PubChem (CID 17761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).