4-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]ethyl]benzonitrile

C17H21N3S — CID 43205885

IUPAC4-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]ethyl]benzonitrile
SMILESCC(NCC(c1cccs1)N(C)C)c1ccc(C#N)cc1
InChIInChI=1S/C17H21N3S/c1-13(15-8-6-14(11-18)7-9-15)19-12-16(20(2)3)17-5-4-10-21-17/h4-10,13,16,19H,12H2,1-3H3
InChIKeySFJIOCMBNZHZDE-UHFFFAOYSA-N
MW299.44 g/mol
LogP3.57
Rot. Bonds6

About 4-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]ethyl]benzonitrile

4-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]ethyl]benzonitrile (PubChem CID 43205885) has the molecular formula C17H21N3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 4-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]ethyl]benzonitrile.

Molecular Properties

Compound Name4-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]ethyl]benzonitrile
PubChem CID43205885
Molecular FormulaC17H21N3S
Molecular Weight299.44 g/mol
Exact Mass299.15
IUPAC Name4-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]ethyl]benzonitrile
SMILESCC(NCC(c1cccs1)N(C)C)c1ccc(C#N)cc1
InChIInChI=1S/C17H21N3S/c1-13(15-8-6-14(11-18)7-9-15)19-12-16(20(2)3)17-5-4-10-21-17/h4-10,13,16,19H,12H2,1-3H3
InChIKeySFJIOCMBNZHZDE-UHFFFAOYSA-N
XLogP3.57
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[1-(3-bromophenyl)ethyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 43094623
N,N-dimethyl-N'-(2-methyl-1-thiophen-2-ylpropyl)-1-thiophen-2-ylethane-1,2-diamine
CID 43770180
2-(4-cyanophenoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]propanamide
CID 51146078
4-[1-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethyl]benzonitrile
CID 79040855
N'-[1-(5-bromofuran-2-yl)ethyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 104652184
4-[1-[2-[methyl(propan-2-yl)amino]ethylamino]ethyl]benzonitrile
CID 55097943
4-[(1R)-1-[[(2S)-2-methoxypropyl]amino]ethyl]benzonitrile
CID 124600611
3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-2-methylbutan-2-ol
CID 65332852
4-[1-[2-[butan-2-yl(methyl)amino]ethylamino]ethyl]benzonitrile
CID 103921220
4-[methyl(1-thiophen-2-ylethyl)amino]benzonitrile
CID 54981198
4-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile
CID 43763766
N,N-dimethyl-N'-[1-(1-methylcyclopropyl)ethyl]-1-thiophen-2-ylethane-1,2-diamine
CID 43363267

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]ethyl]benzonitrile?
The IUPAC name of 4-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]ethyl]benzonitrile (CID 43205885) is 4-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]ethyl]benzonitrile.
What is the SMILES notation for 4-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]ethyl]benzonitrile?
The canonical SMILES for 4-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]ethyl]benzonitrile is CC(NCC(c1cccs1)N(C)C)c1ccc(C#N)cc1.
What is the InChIKey of 4-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]ethyl]benzonitrile?
The InChIKey is SFJIOCMBNZHZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3S/c1-13(15-8-6-14(11-18)7-9-15)19-12-16(20(2)3)17-5-4-10-21-17/h4-10,13,16,19H,12H2,1-3H3.
What are the key properties of 4-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]ethyl]benzonitrile?
4-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]ethyl]benzonitrile has a molecular weight of 299.44 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]ethyl]benzonitrile is sourced from PubChem (CID 43205885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).