3-[ethyl(thiophen-2-ylmethyl)amino]butanenitrile

C11H16N2S — CID 61436724

IUPAC3-[ethyl(thiophen-2-ylmethyl)amino]butanenitrile
SMILESCCN(Cc1cccs1)C(C)CC#N
InChIInChI=1S/C11H16N2S/c1-3-13(10(2)6-7-12)9-11-5-4-8-14-11/h4-5,8,10H,3,6,9H2,1-2H3
InChIKeyZQXICCJXOALFOX-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.87
Rot. Bonds5

About 3-[ethyl(thiophen-2-ylmethyl)amino]butanenitrile

3-[ethyl(thiophen-2-ylmethyl)amino]butanenitrile (PubChem CID 61436724) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 3-[ethyl(thiophen-2-ylmethyl)amino]butanenitrile.

Molecular Properties

Compound Name3-[ethyl(thiophen-2-ylmethyl)amino]butanenitrile
PubChem CID61436724
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name3-[ethyl(thiophen-2-ylmethyl)amino]butanenitrile
SMILESCCN(Cc1cccs1)C(C)CC#N
InChIInChI=1S/C11H16N2S/c1-3-13(10(2)6-7-12)9-11-5-4-8-14-11/h4-5,8,10H,3,6,9H2,1-2H3
InChIKeyZQXICCJXOALFOX-UHFFFAOYSA-N
XLogP2.87
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-ethyl-1-N-methyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62463283
1-N,2-N-diethyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62463458
3-[ethyl(pyridin-4-ylmethyl)amino]butanenitrile
CID 61450672
2-N-ethyl-1-N-pentan-3-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62568180
3-(thiophen-2-ylmethoxy)butanenitrile
CID 114995813
N-ethyl-N-propan-2-yl-3-thiophen-2-ylpropan-1-amine
CID 67813674
4-N-ethyl-1-N-propyl-4-N-(thiophen-2-ylmethyl)pentane-1,4-diamine
CID 62462942
2-[1-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclopropyl]acetonitrile
CID 65494867
4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]benzonitrile
CID 61451334
2-cyano-N-ethyl-N-(thiophen-2-ylmethyl)acetamide
CID 61437413
N-ethyl-2-methyl-3-(methylamino)-N-(thiophen-2-ylmethyl)propanamide
CID 79201660
(2S)-1-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 106932766

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(thiophen-2-ylmethyl)amino]butanenitrile?
The IUPAC name of 3-[ethyl(thiophen-2-ylmethyl)amino]butanenitrile (CID 61436724) is 3-[ethyl(thiophen-2-ylmethyl)amino]butanenitrile.
What is the SMILES notation for 3-[ethyl(thiophen-2-ylmethyl)amino]butanenitrile?
The canonical SMILES for 3-[ethyl(thiophen-2-ylmethyl)amino]butanenitrile is CCN(Cc1cccs1)C(C)CC#N.
What is the InChIKey of 3-[ethyl(thiophen-2-ylmethyl)amino]butanenitrile?
The InChIKey is ZQXICCJXOALFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-3-13(10(2)6-7-12)9-11-5-4-8-14-11/h4-5,8,10H,3,6,9H2,1-2H3.
What are the key properties of 3-[ethyl(thiophen-2-ylmethyl)amino]butanenitrile?
3-[ethyl(thiophen-2-ylmethyl)amino]butanenitrile has a molecular weight of 208.33 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(thiophen-2-ylmethyl)amino]butanenitrile is sourced from PubChem (CID 61436724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).