2-[2-(diethylamino)ethyl]-3-methyl-2-thiophen-2-ylbutanenitrile

C15H24N2S — CID 3049319

IUPAC2-[2-(diethylamino)ethyl]-3-methyl-2-thiophen-2-ylbutanenitrile
SMILESCCN(CC)CCC(C#N)(c1cccs1)C(C)C
InChIInChI=1S/C15H24N2S/c1-5-17(6-2)10-9-15(12-16,13(3)4)14-8-7-11-18-14/h7-8,11,13H,5-6,9-10H2,1-4H3
InChIKeyABBMMYSSECBMOV-UHFFFAOYSA-N
MW264.44 g/mol
LogP3.90
Rot. Bonds7

About 2-[2-(diethylamino)ethyl]-3-methyl-2-thiophen-2-ylbutanenitrile

2-[2-(diethylamino)ethyl]-3-methyl-2-thiophen-2-ylbutanenitrile (PubChem CID 3049319) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethyl]-3-methyl-2-thiophen-2-ylbutanenitrile.

Molecular Properties

Compound Name2-[2-(diethylamino)ethyl]-3-methyl-2-thiophen-2-ylbutanenitrile
PubChem CID3049319
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name2-[2-(diethylamino)ethyl]-3-methyl-2-thiophen-2-ylbutanenitrile
SMILESCCN(CC)CCC(C#N)(c1cccs1)C(C)C
InChIInChI=1S/C15H24N2S/c1-5-17(6-2)10-9-15(12-16,13(3)4)14-8-7-11-18-14/h7-8,11,13H,5-6,9-10H2,1-4H3
InChIKeyABBMMYSSECBMOV-UHFFFAOYSA-N
XLogP3.90
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethyl]-3-methyl-2-thiophen-2-ylbutanenitrile?
The IUPAC name of 2-[2-(diethylamino)ethyl]-3-methyl-2-thiophen-2-ylbutanenitrile (CID 3049319) is 2-[2-(diethylamino)ethyl]-3-methyl-2-thiophen-2-ylbutanenitrile.
What is the SMILES notation for 2-[2-(diethylamino)ethyl]-3-methyl-2-thiophen-2-ylbutanenitrile?
The canonical SMILES for 2-[2-(diethylamino)ethyl]-3-methyl-2-thiophen-2-ylbutanenitrile is CCN(CC)CCC(C#N)(c1cccs1)C(C)C.
What is the InChIKey of 2-[2-(diethylamino)ethyl]-3-methyl-2-thiophen-2-ylbutanenitrile?
The InChIKey is ABBMMYSSECBMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-5-17(6-2)10-9-15(12-16,13(3)4)14-8-7-11-18-14/h7-8,11,13H,5-6,9-10H2,1-4H3.
What are the key properties of 2-[2-(diethylamino)ethyl]-3-methyl-2-thiophen-2-ylbutanenitrile?
2-[2-(diethylamino)ethyl]-3-methyl-2-thiophen-2-ylbutanenitrile has a molecular weight of 264.44 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethyl]-3-methyl-2-thiophen-2-ylbutanenitrile is sourced from PubChem (CID 3049319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).