5-[1-(cyclohex-2-en-1-ylamino)ethyl]thiophene-2-carbonitrile

C13H16N2S — CID 115903686

IUPAC5-[1-(cyclohex-2-en-1-ylamino)ethyl]thiophene-2-carbonitrile
SMILESCC(NC1C=CCCC1)c1ccc(C#N)s1
InChIInChI=1S/C13H16N2S/c1-10(13-8-7-12(9-14)16-13)15-11-5-3-2-4-6-11/h3,5,7-8,10-11,15H,2,4,6H2,1H3
InChIKeyXJRWLWNNVOAZMC-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.38
Rot. Bonds3

About 5-[1-(cyclohex-2-en-1-ylamino)ethyl]thiophene-2-carbonitrile

5-[1-(cyclohex-2-en-1-ylamino)ethyl]thiophene-2-carbonitrile (PubChem CID 115903686) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 5-[1-(cyclohex-2-en-1-ylamino)ethyl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[1-(cyclohex-2-en-1-ylamino)ethyl]thiophene-2-carbonitrile
PubChem CID115903686
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name5-[1-(cyclohex-2-en-1-ylamino)ethyl]thiophene-2-carbonitrile
SMILESCC(NC1C=CCCC1)c1ccc(C#N)s1
InChIInChI=1S/C13H16N2S/c1-10(13-8-7-12(9-14)16-13)15-11-5-3-2-4-6-11/h3,5,7-8,10-11,15H,2,4,6H2,1H3
InChIKeyXJRWLWNNVOAZMC-UHFFFAOYSA-N
XLogP3.38
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(1-phenylethyl)cyclohex-2-en-1-amine
CID 103846518
5-[1-(2-cyclopropylpropylamino)ethyl]thiophene-2-carbonitrile
CID 115903591
5-propan-2-ylthiophene-2-carbonitrile
CID 59218723
N-(1-cyclobutylethyl)cyclohex-2-en-1-amine
CID 103903529
5-[1-[(1-methylcyclobutyl)amino]ethyl]thiophene-2-carbonitrile
CID 115929677
N-[1-(3-bromothiophen-2-yl)ethyl]cyclohex-2-en-1-amine
CID 115893699
N-(1-thiophen-2-ylpropyl)cyclohex-2-en-1-amine
CID 115893597
5-[1-(2-hydroxyethylamino)ethyl]thiophene-2-carbonitrile
CID 115905377
5-[1-(2-methylpropylamino)ethyl]thiophene-2-carbonitrile
CID 115869616
N-(1-pyridin-2-ylethyl)cyclohex-2-en-1-amine
CID 115893628
N-[(1S)-1-(3-chlorophenyl)ethyl]cyclohex-2-en-1-amine
CID 107907455
5-[1-[(3-methyloxolan-3-yl)amino]ethyl]thiophene-2-carbonitrile
CID 115922586

Frequently Asked Questions

What is the IUPAC name of 5-[1-(cyclohex-2-en-1-ylamino)ethyl]thiophene-2-carbonitrile?
The IUPAC name of 5-[1-(cyclohex-2-en-1-ylamino)ethyl]thiophene-2-carbonitrile (CID 115903686) is 5-[1-(cyclohex-2-en-1-ylamino)ethyl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[1-(cyclohex-2-en-1-ylamino)ethyl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[1-(cyclohex-2-en-1-ylamino)ethyl]thiophene-2-carbonitrile is CC(NC1C=CCCC1)c1ccc(C#N)s1.
What is the InChIKey of 5-[1-(cyclohex-2-en-1-ylamino)ethyl]thiophene-2-carbonitrile?
The InChIKey is XJRWLWNNVOAZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-10(13-8-7-12(9-14)16-13)15-11-5-3-2-4-6-11/h3,5,7-8,10-11,15H,2,4,6H2,1H3.
What are the key properties of 5-[1-(cyclohex-2-en-1-ylamino)ethyl]thiophene-2-carbonitrile?
5-[1-(cyclohex-2-en-1-ylamino)ethyl]thiophene-2-carbonitrile has a molecular weight of 232.35 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(cyclohex-2-en-1-ylamino)ethyl]thiophene-2-carbonitrile is sourced from PubChem (CID 115903686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).