5-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]methyl]thiophene-3-carbonitrile

C18H20N2S — CID 79538677

IUPAC5-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]methyl]thiophene-3-carbonitrile
SMILESCC(NCc1cc(C#N)cs1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H20N2S/c1-13(20-11-18-8-14(10-19)12-21-18)16-7-6-15-4-2-3-5-17(15)9-16/h6-9,12-13,20H,2-5,11H2,1H3
InChIKeyRYUSFNPAYICKNU-UHFFFAOYSA-N
MW296.44 g/mol
LogP4.35
Rot. Bonds4

About 5-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]methyl]thiophene-3-carbonitrile

5-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]methyl]thiophene-3-carbonitrile (PubChem CID 79538677) has the molecular formula C18H20N2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 5-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]methyl]thiophene-3-carbonitrile.

Molecular Properties

Compound Name5-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]methyl]thiophene-3-carbonitrile
PubChem CID79538677
Molecular FormulaC18H20N2S
Molecular Weight296.44 g/mol
Exact Mass296.13
IUPAC Name5-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]methyl]thiophene-3-carbonitrile
SMILESCC(NCc1cc(C#N)cs1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H20N2S/c1-13(20-11-18-8-14(10-19)12-21-18)16-7-6-15-4-2-3-5-17(15)9-16/h6-9,12-13,20H,2-5,11H2,1H3
InChIKeyRYUSFNPAYICKNU-UHFFFAOYSA-N
XLogP4.35
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethylamino]methyl]thiophene-3-carbonitrile
CID 79539168
5-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]thiophene-3-carbonitrile
CID 81376652
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 65246342
4-[1-[(4-chlorothiophen-2-yl)methylamino]ethyl]benzonitrile
CID 79420315
3-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanenitrile
CID 43207724
5-[[1-(3-nitrophenyl)ethylamino]methyl]thiophene-3-carbonitrile
CID 79553149
5-[(1-cyclobutylethylamino)methyl]thiophene-3-carbonitrile
CID 115768375
5-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]thiophene-3-carbonitrile
CID 81380013
1-(2,3-dihydro-1H-inden-5-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 61281399
N-[(4-fluorophenyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43079812
N-(furan-3-ylmethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 62999731
5-[[1-(2-methoxyphenyl)ethylamino]methyl]thiophene-3-carbonitrile
CID 79545419

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]methyl]thiophene-3-carbonitrile?
The IUPAC name of 5-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]methyl]thiophene-3-carbonitrile (CID 79538677) is 5-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]methyl]thiophene-3-carbonitrile.
What is the SMILES notation for 5-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]methyl]thiophene-3-carbonitrile?
The canonical SMILES for 5-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]methyl]thiophene-3-carbonitrile is CC(NCc1cc(C#N)cs1)c1ccc2c(c1)CCCC2.
What is the InChIKey of 5-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]methyl]thiophene-3-carbonitrile?
The InChIKey is RYUSFNPAYICKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2S/c1-13(20-11-18-8-14(10-19)12-21-18)16-7-6-15-4-2-3-5-17(15)9-16/h6-9,12-13,20H,2-5,11H2,1H3.
What are the key properties of 5-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]methyl]thiophene-3-carbonitrile?
5-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]methyl]thiophene-3-carbonitrile has a molecular weight of 296.44 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]methyl]thiophene-3-carbonitrile is sourced from PubChem (CID 79538677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).