3-[(2-amino-1-thiophen-2-ylethyl)-methylamino]benzonitrile

C14H15N3S — CID 62969727

IUPAC3-[(2-amino-1-thiophen-2-ylethyl)-methylamino]benzonitrile
SMILESCN(c1cccc(C#N)c1)C(CN)c1cccs1
InChIInChI=1S/C14H15N3S/c1-17(12-5-2-4-11(8-12)9-15)13(10-16)14-6-3-7-18-14/h2-8,13H,10,16H2,1H3
InChIKeyCXJMRTIDLADLPD-UHFFFAOYSA-N
MW257.36 g/mol
LogP2.76
Rot. Bonds4

About 3-[(2-amino-1-thiophen-2-ylethyl)-methylamino]benzonitrile

3-[(2-amino-1-thiophen-2-ylethyl)-methylamino]benzonitrile (PubChem CID 62969727) has the molecular formula C14H15N3S and a molecular weight of 257.36 g/mol. Its IUPAC name is 3-[(2-amino-1-thiophen-2-ylethyl)-methylamino]benzonitrile.

Molecular Properties

Compound Name3-[(2-amino-1-thiophen-2-ylethyl)-methylamino]benzonitrile
PubChem CID62969727
Molecular FormulaC14H15N3S
Molecular Weight257.36 g/mol
Exact Mass257.10
IUPAC Name3-[(2-amino-1-thiophen-2-ylethyl)-methylamino]benzonitrile
SMILESCN(c1cccc(C#N)c1)C(CN)c1cccs1
InChIInChI=1S/C14H15N3S/c1-17(12-5-2-4-11(8-12)9-15)13(10-16)14-6-3-7-18-14/h2-8,13H,10,16H2,1H3
InChIKeyCXJMRTIDLADLPD-UHFFFAOYSA-N
XLogP2.76
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-amino-1-(5-methylthiophen-2-yl)ethyl]-methylamino]benzonitrile
CID 62971993
N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 3842630
3-[(3-amino-2-hydroxypropyl)-methylamino]benzonitrile
CID 62970802
N-(3-cyanophenyl)-N-methylthiophene-2-carboxamide
CID 47407929
4-[methyl(1-thiophen-2-ylethyl)amino]benzonitrile
CID 54981198
ethane;3-[methyl-[1-(2-methylphenyl)butyl]amino]benzonitrile
CID 143684734
N-methyl-N-(3-methylbutan-2-yl)-1-thiophen-2-ylethane-1,2-diamine
CID 43569817
3-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]benzonitrile
CID 28683484
3-[methyl(methylsulfanyl)amino]benzonitrile
CID 146320456
2-(3-cyano-N-methylanilino)-N,N-diethylpropanamide
CID 62982606
3-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile
CID 43762497
4-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]ethyl]benzonitrile
CID 43205885

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-1-thiophen-2-ylethyl)-methylamino]benzonitrile?
The IUPAC name of 3-[(2-amino-1-thiophen-2-ylethyl)-methylamino]benzonitrile (CID 62969727) is 3-[(2-amino-1-thiophen-2-ylethyl)-methylamino]benzonitrile.
What is the SMILES notation for 3-[(2-amino-1-thiophen-2-ylethyl)-methylamino]benzonitrile?
The canonical SMILES for 3-[(2-amino-1-thiophen-2-ylethyl)-methylamino]benzonitrile is CN(c1cccc(C#N)c1)C(CN)c1cccs1.
What is the InChIKey of 3-[(2-amino-1-thiophen-2-ylethyl)-methylamino]benzonitrile?
The InChIKey is CXJMRTIDLADLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S/c1-17(12-5-2-4-11(8-12)9-15)13(10-16)14-6-3-7-18-14/h2-8,13H,10,16H2,1H3.
What are the key properties of 3-[(2-amino-1-thiophen-2-ylethyl)-methylamino]benzonitrile?
3-[(2-amino-1-thiophen-2-ylethyl)-methylamino]benzonitrile has a molecular weight of 257.36 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-1-thiophen-2-ylethyl)-methylamino]benzonitrile is sourced from PubChem (CID 62969727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).