4-[1-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethyl]benzonitrile

C17H20N2S — CID 79040855

IUPAC4-[1-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethyl]benzonitrile
SMILESCC(NCC(C)(C)c1cccs1)c1ccc(C#N)cc1
InChIInChI=1S/C17H20N2S/c1-13(15-8-6-14(11-18)7-9-15)19-12-17(2,3)16-5-4-10-20-16/h4-10,13,19H,12H2,1-3H3
InChIKeyJYKQBEYYCOZBSN-UHFFFAOYSA-N
MW284.43 g/mol
LogP4.25
Rot. Bonds5

About 4-[1-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethyl]benzonitrile

4-[1-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethyl]benzonitrile (PubChem CID 79040855) has the molecular formula C17H20N2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 4-[1-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethyl]benzonitrile.

Molecular Properties

Compound Name4-[1-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethyl]benzonitrile
PubChem CID79040855
Molecular FormulaC17H20N2S
Molecular Weight284.43 g/mol
Exact Mass284.13
IUPAC Name4-[1-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethyl]benzonitrile
SMILESCC(NCC(C)(C)c1cccs1)c1ccc(C#N)cc1
InChIInChI=1S/C17H20N2S/c1-13(15-8-6-14(11-18)7-9-15)19-12-17(2,3)16-5-4-10-20-16/h4-10,13,19H,12H2,1-3H3
InChIKeyJYKQBEYYCOZBSN-UHFFFAOYSA-N
XLogP4.25
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-hydroxy-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethyl]benzonitrile
CID 80526804
2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]-2-thiophen-2-ylpropan-1-amine
CID 80526182
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 82991870
2-[1-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethyl]phenol
CID 80525988
4-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]ethyl]benzonitrile
CID 43205885
N-(2-methyl-2-thiophen-2-ylpropyl)pentan-3-amine
CID 80526217
4-[[(2-hydroxy-2-thiophen-2-ylpropyl)amino]methyl]benzonitrile
CID 111440639
N-[1-(2,5-dichlorophenyl)ethyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 80526104
N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 80525978
2-[(4-cyanophenyl)methyl]-1-ethyl-3-(2-methyl-2-thiophen-2-ylpropyl)guanidine
CID 111582442
N-[1-(4-ethylphenyl)propyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 80526466
N-(2-methyl-2-thiophen-2-ylpropyl)-4-phenylbutan-2-amine
CID 78963724

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethyl]benzonitrile?
The IUPAC name of 4-[1-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethyl]benzonitrile (CID 79040855) is 4-[1-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethyl]benzonitrile.
What is the SMILES notation for 4-[1-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethyl]benzonitrile?
The canonical SMILES for 4-[1-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethyl]benzonitrile is CC(NCC(C)(C)c1cccs1)c1ccc(C#N)cc1.
What is the InChIKey of 4-[1-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethyl]benzonitrile?
The InChIKey is JYKQBEYYCOZBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2S/c1-13(15-8-6-14(11-18)7-9-15)19-12-17(2,3)16-5-4-10-20-16/h4-10,13,19H,12H2,1-3H3.
What are the key properties of 4-[1-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethyl]benzonitrile?
4-[1-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethyl]benzonitrile has a molecular weight of 284.43 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethyl]benzonitrile is sourced from PubChem (CID 79040855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).