3-(2-thiophen-3-ylethylamino)butanenitrile

C10H14N2S — CID 61474150

IUPAC3-(2-thiophen-3-ylethylamino)butanenitrile
SMILESCC(CC#N)NCCc1ccsc1
InChIInChI=1S/C10H14N2S/c1-9(2-5-11)12-6-3-10-4-7-13-8-10/h4,7-9,12H,2-3,6H2,1H3
InChIKeyWCNHXWQMSUKANM-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.18
Rot. Bonds5

About 3-(2-thiophen-3-ylethylamino)butanenitrile

3-(2-thiophen-3-ylethylamino)butanenitrile (PubChem CID 61474150) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 3-(2-thiophen-3-ylethylamino)butanenitrile.

Molecular Properties

Compound Name3-(2-thiophen-3-ylethylamino)butanenitrile
PubChem CID61474150
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name3-(2-thiophen-3-ylethylamino)butanenitrile
SMILESCC(CC#N)NCCc1ccsc1
InChIInChI=1S/C10H14N2S/c1-9(2-5-11)12-6-3-10-4-7-13-8-10/h4,7-9,12H,2-3,6H2,1H3
InChIKeyWCNHXWQMSUKANM-UHFFFAOYSA-N
XLogP2.18
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(2-thiophen-3-ylethylamino)butyl]phenol
CID 61475292
N-(2-thiophen-3-ylethyl)hex-5-en-2-amine
CID 104581649
6-methyl-N-(2-thiophen-3-ylethyl)hept-5-en-2-amine
CID 115708370
(2S)-3-methyl-2-(2-thiophen-3-ylethylamino)butan-1-ol
CID 79249026
N-(2-fluoroethyl)-1-thiophen-3-ylpropan-2-amine
CID 80694035
4-[1-(2-thiophen-3-ylethylamino)ethyl]phenol
CID 54953254
N'-(cyanomethyl)-N-(2-thiophen-3-ylethyl)oxamide
CID 61477384
(1R)-1-(2-methylphenyl)-N-(2-thiophen-3-ylethyl)ethanamine
CID 81375407
1-chloro-4-methyl-N-(2-thiophen-3-ylethyl)pentan-3-amine
CID 106353903
N-benzhydryl-2-thiophen-3-ylethanamine
CID 61474886
1-(5-methylfuran-2-yl)-N-(2-thiophen-3-ylethyl)ethanamine
CID 61474918
2-methyl-N-(2-thiophen-3-ylethyl)butan-1-amine
CID 61474890

Frequently Asked Questions

What is the IUPAC name of 3-(2-thiophen-3-ylethylamino)butanenitrile?
The IUPAC name of 3-(2-thiophen-3-ylethylamino)butanenitrile (CID 61474150) is 3-(2-thiophen-3-ylethylamino)butanenitrile.
What is the SMILES notation for 3-(2-thiophen-3-ylethylamino)butanenitrile?
The canonical SMILES for 3-(2-thiophen-3-ylethylamino)butanenitrile is CC(CC#N)NCCc1ccsc1.
What is the InChIKey of 3-(2-thiophen-3-ylethylamino)butanenitrile?
The InChIKey is WCNHXWQMSUKANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c1-9(2-5-11)12-6-3-10-4-7-13-8-10/h4,7-9,12H,2-3,6H2,1H3.
What are the key properties of 3-(2-thiophen-3-ylethylamino)butanenitrile?
3-(2-thiophen-3-ylethylamino)butanenitrile has a molecular weight of 194.30 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-thiophen-3-ylethylamino)butanenitrile is sourced from PubChem (CID 61474150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).