2-[3-(4-ethylcyclohexen-1-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;methane;2-[3-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;2-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-1-thiophen-2-ylethanimine;2-[3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-1-thiophen-2-ylethanimine

C88H109N11S4 — CID 158003982

IUPAC2-[3-(4-ethylcyclohexen-1-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;methane;2-[3-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;2-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-1-thiophen-2-ylethanimine;2-[3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-1-thiophen-2-ylethanimine
SMILESC.C.C.C.[H]/N=C(/Cc1ccc2[nH]cc(C3=CC4CCC(C3)N4C)c2c1)c1cccs1.[H]/N=C(/Cc1ccc2[nH]cc(C3=CCC(CC)CC3)c2c1)c1cccs1.[H]/N=C(/Cc1ccc2[nH]cc(C[C@@H]3CCCN3C)c2c1)c1cccs1.[H]/N=C(/Cc1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1)c1cccs1
InChIInChI=1S/C22H23N3S.C22H24N2S.2C20H23N3S.4CH4/c1-25-16-5-6-17(25)12-15(11-16)19-13-24-21-7-4-14(9-18(19)21)10-20(23)22-3-2-8-26-22;1-2-15-5-8-17(9-6-15)19-14-24-21-10-7-16(12-18(19)21)13-20(23)22-4-3-11-25-22;2*1-23-8-2-4-16(23)12-15-13-22-19-7-6-14(10-17(15)19)11-18(21)20-5-3-9-24-20;;;;/h2-4,7-9,11,13,16-17,23-24H,5-6,10,12H2,1H3;3-4,7-8,10-12,14-15,23-24H,2,5-6,9,13H2,1H3;2*3,5-7,9-10,13,16,21-22H,2,4,8,11-12H2,1H3;4*1H4/b2*23-20-;2*21-18-;;;;/t;;2*16-;;;;/m..10..../s1
InChIKeyFEBIKPFHONKQKT-ZZMZEMBOSA-N
MW1449.18 g/mol
LogP23.02
Rot. Bonds19

About 2-[3-(4-ethylcyclohexen-1-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;methane;2-[3-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;2-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-1-thiophen-2-ylethanimine;2-[3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-1-thiophen-2-ylethanimine

2-[3-(4-ethylcyclohexen-1-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;methane;2-[3-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;2-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-1-thiophen-2-ylethanimine;2-[3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-1-thiophen-2-ylethanimine (PubChem CID 158003982) has the molecular formula C88H109N11S4 and a molecular weight of 1449.18 g/mol. Its IUPAC name is 2-[3-(4-ethylcyclohexen-1-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;methane;2-[3-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;2-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-1-thiophen-2-ylethanimine;2-[3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-1-thiophen-2-ylethanimine.

Molecular Properties

Compound Name2-[3-(4-ethylcyclohexen-1-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;methane;2-[3-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;2-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-1-thiophen-2-ylethanimine;2-[3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-1-thiophen-2-ylethanimine
PubChem CID158003982
Molecular FormulaC88H109N11S4
Molecular Weight1449.18 g/mol
Exact Mass1447.78
IUPAC Name2-[3-(4-ethylcyclohexen-1-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;methane;2-[3-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;2-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-1-thiophen-2-ylethanimine;2-[3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-1-thiophen-2-ylethanimine
SMILESC.C.C.C.[H]/N=C(/Cc1ccc2[nH]cc(C3=CC4CCC(C3)N4C)c2c1)c1cccs1.[H]/N=C(/Cc1ccc2[nH]cc(C3=CCC(CC)CC3)c2c1)c1cccs1.[H]/N=C(/Cc1ccc2[nH]cc(C[C@@H]3CCCN3C)c2c1)c1cccs1.[H]/N=C(/Cc1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1)c1cccs1
InChIInChI=1S/C22H23N3S.C22H24N2S.2C20H23N3S.4CH4/c1-25-16-5-6-17(25)12-15(11-16)19-13-24-21-7-4-14(9-18(19)21)10-20(23)22-3-2-8-26-22;1-2-15-5-8-17(9-6-15)19-14-24-21-10-7-16(12-18(19)21)13-20(23)22-4-3-11-25-22;2*1-23-8-2-4-16(23)12-15-13-22-19-7-6-14(10-17(15)19)11-18(21)20-5-3-9-24-20;;;;/h2-4,7-9,11,13,16-17,23-24H,5-6,10,12H2,1H3;3-4,7-8,10-12,14-15,23-24H,2,5-6,9,13H2,1H3;2*3,5-7,9-10,13,16,21-22H,2,4,8,11-12H2,1H3;4*1H4/b2*23-20-;2*21-18-;;;;/t;;2*16-;;;;/m..10..../s1
InChIKeyFEBIKPFHONKQKT-ZZMZEMBOSA-N
XLogP23.02
TPSA168.28 Ų
H-Bond Donors8
H-Bond Acceptors11
Rotatable Bonds19
Heavy Atoms103
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001449.18
LogP ≤ 523.02
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[3-(4-ethylcyclohexen-1-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;methane;2-[3-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;2-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-1-thiophen-2-ylethanimine;2-[3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-1-thiophen-2-ylethanimine with MolForge

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Related Compounds

Dimethyl-[2-(5-thiophen-2-yl-1H-indol-3-yl)-ethyl]-amine
CID 11402988
Dimethyl-[2-(5-thiophen-3-yl-1H-indol-3-yl)-ethyl]-amine
CID 44214329
3-(2-Pyrrolidin-1-yl-ethyl)-5-thiophen-2-yl-1H-indole
CID 10266598
3-[2-(2,5-Dimethyl-pyrrolidin-1-yl)-ethyl]-5-thiophen-2-yl-1H-indole
CID 10403999
3-[2-(2,5-Dihydro-pyrrol-1-yl)-ethyl]-5-thiophen-2-yl-1H-indole
CID 44383729
3-[1H-indol-3-yl(thiophen-2-yl)methyl]-1H-indole
CID 2940617
3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-thiophen-3-yl-1H-indole
CID 9994615
3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-thiophen-2-yl-1H-indole
CID 10063060
5-Methyl-3-[(5-methylthiophen-2-YL)(phenyl)methyl]-1H-indole
CID 16009243
3-[(5-ethylthiophen-2-yl)-phenylmethyl]-5-methyl-1H-indole
CID 16009245
5-(1H-indol-5-yl)-1-methyl-3-thiophen-2-yl-2-thiophen-3-ylindole
CID 44142655
5-(1H-indol-6-yl)-1-methyl-3-thiophen-2-yl-2-thiophen-3-ylindole
CID 44142657

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-ethylcyclohexen-1-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;methane;2-[3-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;2-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-1-thiophen-2-ylethanimine;2-[3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-1-thiophen-2-ylethanimine?
The IUPAC name of 2-[3-(4-ethylcyclohexen-1-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;methane;2-[3-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;2-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-1-thiophen-2-ylethanimine;2-[3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-1-thiophen-2-ylethanimine (CID 158003982) is 2-[3-(4-ethylcyclohexen-1-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;methane;2-[3-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;2-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-1-thiophen-2-ylethanimine;2-[3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-1-thiophen-2-ylethanimine.
What is the SMILES notation for 2-[3-(4-ethylcyclohexen-1-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;methane;2-[3-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;2-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-1-thiophen-2-ylethanimine;2-[3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-1-thiophen-2-ylethanimine?
The canonical SMILES for 2-[3-(4-ethylcyclohexen-1-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;methane;2-[3-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;2-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-1-thiophen-2-ylethanimine;2-[3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-1-thiophen-2-ylethanimine is C.C.C.C.[H]/N=C(/Cc1ccc2[nH]cc(C3=CC4CCC(C3)N4C)c2c1)c1cccs1.[H]/N=C(/Cc1ccc2[nH]cc(C3=CCC(CC)CC3)c2c1)c1cccs1.[H]/N=C(/Cc1ccc2[nH]cc(C[C@@H]3CCCN3C)c2c1)c1cccs1.[H]/N=C(/Cc1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1)c1cccs1.
What is the InChIKey of 2-[3-(4-ethylcyclohexen-1-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;methane;2-[3-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;2-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-1-thiophen-2-ylethanimine;2-[3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-1-thiophen-2-ylethanimine?
The InChIKey is FEBIKPFHONKQKT-ZZMZEMBOSA-N. The full InChI is InChI=1S/C22H23N3S.C22H24N2S.2C20H23N3S.4CH4/c1-25-16-5-6-17(25)12-15(11-16)19-13-24-21-7-4-14(9-18(19)21)10-20(23)22-3-2-8-26-22;1-2-15-5-8-17(9-6-15)19-14-24-21-10-7-16(12-18(19)21)13-20(23)22-4-3-11-25-22;2*1-23-8-2-4-16(23)12-15-13-22-19-7-6-14(10-17(15)19)11-18(21)20-5-3-9-24-20;;;;/h2-4,7-9,11,13,16-17,23-24H,5-6,10,12H2,1H3;3-4,7-8,10-12,14-15,23-24H,2,5-6,9,13H2,1H3;2*3,5-7,9-10,13,16,21-22H,2,4,8,11-12H2,1H3;4*1H4/b2*23-20-;2*21-18-;;;;/t;;2*16-;;;;/m..10..../s1.
What are the key properties of 2-[3-(4-ethylcyclohexen-1-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;methane;2-[3-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;2-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-1-thiophen-2-ylethanimine;2-[3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-1-thiophen-2-ylethanimine?
2-[3-(4-ethylcyclohexen-1-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;methane;2-[3-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;2-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-1-thiophen-2-ylethanimine;2-[3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-1-thiophen-2-ylethanimine has a molecular weight of 1449.18 g/mol, XLogP of 23.02, 19 rotatable bonds, 8 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-ethylcyclohexen-1-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;methane;2-[3-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;2-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-1-thiophen-2-ylethanimine;2-[3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-1-thiophen-2-ylethanimine is sourced from PubChem (CID 158003982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).