5-[(2-cyclohexylethylamino)methyl]thiophene-3-carbonitrile

C14H20N2S — CID 79544754

IUPAC5-[(2-cyclohexylethylamino)methyl]thiophene-3-carbonitrile
SMILESN#Cc1csc(CNCCC2CCCCC2)c1
InChIInChI=1S/C14H20N2S/c15-9-13-8-14(17-11-13)10-16-7-6-12-4-2-1-3-5-12/h8,11-12,16H,1-7,10H2
InChIKeyFNYZRYWNIUEOBR-UHFFFAOYSA-N
MW248.39 g/mol
LogP3.68
Rot. Bonds5

About 5-[(2-cyclohexylethylamino)methyl]thiophene-3-carbonitrile

5-[(2-cyclohexylethylamino)methyl]thiophene-3-carbonitrile (PubChem CID 79544754) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 5-[(2-cyclohexylethylamino)methyl]thiophene-3-carbonitrile.

Molecular Properties

Compound Name5-[(2-cyclohexylethylamino)methyl]thiophene-3-carbonitrile
PubChem CID79544754
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC Name5-[(2-cyclohexylethylamino)methyl]thiophene-3-carbonitrile
SMILESN#Cc1csc(CNCCC2CCCCC2)c1
InChIInChI=1S/C14H20N2S/c15-9-13-8-14(17-11-13)10-16-7-6-12-4-2-1-3-5-12/h8,11-12,16H,1-7,10H2
InChIKeyFNYZRYWNIUEOBR-UHFFFAOYSA-N
XLogP3.68
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[[3-(cyclopropylmethoxy)propylamino]methyl]thiophene-3-carbonitrile
CID 79544824
5-[[(2-hydroxycycloheptyl)amino]methyl]thiophene-3-carbonitrile
CID 113394650
5-[(oxolan-3-ylmethylamino)methyl]thiophene-3-carbonitrile
CID 79545727
2-cyclohexyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 63450748
5-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]thiophene-3-carbonitrile
CID 79545191
5-[[(4-propylcyclohexyl)amino]methyl]thiophene-3-carbonitrile
CID 79553308
5-[[2-(cyclopenten-1-yl)ethylamino]methyl]thiophene-3-carbonitrile
CID 115762936
5-[(3-hydroxybutylamino)methyl]thiophene-3-carbonitrile
CID 79553008
5-[[(1-methylcyclobutyl)methylamino]methyl]thiophene-3-carbonitrile
CID 103735904
5-[(2-methylsulfonylethylamino)methyl]thiophene-3-carbonitrile
CID 79553701
5-[(2-ethylsulfonylethylamino)methyl]thiophene-3-carbonitrile
CID 115673632
5-[[(1,1-dioxothiolan-2-yl)methylamino]methyl]thiophene-3-carbonitrile
CID 81038446

Frequently Asked Questions

What is the IUPAC name of 5-[(2-cyclohexylethylamino)methyl]thiophene-3-carbonitrile?
The IUPAC name of 5-[(2-cyclohexylethylamino)methyl]thiophene-3-carbonitrile (CID 79544754) is 5-[(2-cyclohexylethylamino)methyl]thiophene-3-carbonitrile.
What is the SMILES notation for 5-[(2-cyclohexylethylamino)methyl]thiophene-3-carbonitrile?
The canonical SMILES for 5-[(2-cyclohexylethylamino)methyl]thiophene-3-carbonitrile is N#Cc1csc(CNCCC2CCCCC2)c1.
What is the InChIKey of 5-[(2-cyclohexylethylamino)methyl]thiophene-3-carbonitrile?
The InChIKey is FNYZRYWNIUEOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c15-9-13-8-14(17-11-13)10-16-7-6-12-4-2-1-3-5-12/h8,11-12,16H,1-7,10H2.
What are the key properties of 5-[(2-cyclohexylethylamino)methyl]thiophene-3-carbonitrile?
5-[(2-cyclohexylethylamino)methyl]thiophene-3-carbonitrile has a molecular weight of 248.39 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-cyclohexylethylamino)methyl]thiophene-3-carbonitrile is sourced from PubChem (CID 79544754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).