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

C14H20N2 — CID 17759

IUPAC4-(dimethylamino)-2-ethyl-2-phenylbutanenitrile
SMILESCCC(C#N)(CCN(C)C)c1ccccc1
InChIInChI=1S/C14H20N2/c1-4-14(12-15,10-11-16(2)3)13-8-6-5-7-9-13/h5-9H,4,10-11H2,1-3H3
InChIKeyFUTYMWBLUNRHIR-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.81
Rot. Bonds5

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

4-(dimethylamino)-2-ethyl-2-phenylbutanenitrile (PubChem CID 17759) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 4-(dimethylamino)-2-ethyl-2-phenylbutanenitrile.

Molecular Properties

Compound Name4-(dimethylamino)-2-ethyl-2-phenylbutanenitrile
PubChem CID17759
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name4-(dimethylamino)-2-ethyl-2-phenylbutanenitrile
SMILESCCC(C#N)(CCN(C)C)c1ccccc1
InChIInChI=1S/C14H20N2/c1-4-14(12-15,10-11-16(2)3)13-8-6-5-7-9-13/h5-9H,4,10-11H2,1-3H3
InChIKeyFUTYMWBLUNRHIR-UHFFFAOYSA-N
XLogP2.81
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2-ethyl-2-phenylbutanenitrile?
The IUPAC name of 4-(dimethylamino)-2-ethyl-2-phenylbutanenitrile (CID 17759) is 4-(dimethylamino)-2-ethyl-2-phenylbutanenitrile.
What is the SMILES notation for 4-(dimethylamino)-2-ethyl-2-phenylbutanenitrile?
The canonical SMILES for 4-(dimethylamino)-2-ethyl-2-phenylbutanenitrile is CCC(C#N)(CCN(C)C)c1ccccc1.
What is the InChIKey of 4-(dimethylamino)-2-ethyl-2-phenylbutanenitrile?
The InChIKey is FUTYMWBLUNRHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-4-14(12-15,10-11-16(2)3)13-8-6-5-7-9-13/h5-9H,4,10-11H2,1-3H3.
What are the key properties of 4-(dimethylamino)-2-ethyl-2-phenylbutanenitrile?
4-(dimethylamino)-2-ethyl-2-phenylbutanenitrile has a molecular weight of 216.33 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2-ethyl-2-phenylbutanenitrile is sourced from PubChem (CID 17759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).