2-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;bis(N-ethyl-3-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]cyclohexan-1-amine);tetrakis(3-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N-methylcyclohexan-1-amine)

C149H177N21S7 — CID 162064286

About 2-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;bis(N-ethyl-3-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]cyclohexan-1-amine);tetrakis(3-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N-methylcyclohexan-1-amine)

2-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;bis(N-ethyl-3-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]cyclohexan-1-amine);tetrakis(3-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N-methylcyclohexan-1-amine) (PubChem CID 162064286) has the molecular formula C149H177N21S7 and a molecular weight of 2486.67 g/mol. Its IUPAC name is 2-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;bis(N-ethyl-3-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]cyclohexan-1-amine);tetrakis(3-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N-methylcyclohexan-1-amine).

Molecular Properties

• Compound Name: 2-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;bis(N-ethyl-3-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]cyclohexan-1-amine);tetrakis(3-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N-methylcyclohexan-1-amine)
• PubChem CID: 162064286
• Molecular Formula: C149H177N21S7
• Molecular Weight: 2486.67 g/mol
• Exact Mass: 2484.25
• IUPAC Name: 2-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;bis(N-ethyl-3-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]cyclohexan-1-amine);tetrakis(3-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N-methylcyclohexan-1-amine)
• SMILES: [H]/N=C(/Cc1ccc2[nH]cc(C3=CCN(CC)CC3)c2c1)c1cccs1.[H]/N=C(/Cc1ccc2[nH]cc(C3CCCC(NC)C3)c2c1)c1cccs1.[H]/N=C(/Cc1ccc2[nH]cc(C3CCCC(NC)C3)c2c1)c1cccs1.[H]/N=C(/Cc1ccc2[nH]cc(C3CCCC(NC)C3)c2c1)c1cccs1.[H]/N=C(/Cc1ccc2[nH]cc(C3CCCC(NC)C3)c2c1)c1cccs1.[H]/N=C(/Cc1ccc2[nH]cc(C3CCCC(NCC)C3)c2c1)c1cccs1.[H]/N=C(/Cc1ccc2[nH]cc(C3CCCC(NCC)C3)c2c1)c1cccs1
• InChI: InChI=1S/2C22H27N3S.4C21H25N3S.C21H23N3S/c2*1-2-24-17-6-3-5-16(13-17)19-14-25-21-9-8-15(11-18(19)21)12-20(23)22-7-4-10-26-22;4*1-23-16-5-2-4-15(12-16)18-13-24-20-8-7-14(10-17(18)20)11-19(22)21-6-3-9-25-21;1-2-24-9-7-16(8-10-24)18-14-23-20-6-5-15(12-17(18)20)13-19(22)21-4-3-11-25-21/h2*4,7-11,14,16-17,23-25H,2-3,5-6,12-13H2,1H3;4*3,6-10,13,15-16,22-24H,2,4-5,11-12H2,1H3;3-7,11-12,14,22-23H,2,8-10,13H2,1H3/b2*23-20-;5*22-19-
• InChIKey: ZAGCYOUBNZUDEZ-DLGWAVQTSA-N
• XLogP: 36.24
• TPSA: 352.90 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 21
• Rotatable Bonds: 37
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2486.67
LogP ≤ 5	36.24
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;bis(N-ethyl-3-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]cyclohexan-1-amine);tetrakis(3-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N-methylcyclohexan-1-amine)?

The IUPAC name of 2-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;bis(N-ethyl-3-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]cyclohexan-1-amine);tetrakis(3-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N-methylcyclohexan-1-amine) (CID 162064286) is 2-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;bis(N-ethyl-3-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]cyclohexan-1-amine);tetrakis(3-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N-methylcyclohexan-1-amine).

What is the SMILES notation for 2-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;bis(N-ethyl-3-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]cyclohexan-1-amine);tetrakis(3-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N-methylcyclohexan-1-amine)?

The canonical SMILES for 2-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;bis(N-ethyl-3-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]cyclohexan-1-amine);tetrakis(3-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N-methylcyclohexan-1-amine) is [H]/N=C(/Cc1ccc2[nH]cc(C3=CCN(CC)CC3)c2c1)c1cccs1.[H]/N=C(/Cc1ccc2[nH]cc(C3CCCC(NC)C3)c2c1)c1cccs1.[H]/N=C(/Cc1ccc2[nH]cc(C3CCCC(NC)C3)c2c1)c1cccs1.[H]/N=C(/Cc1ccc2[nH]cc(C3CCCC(NC)C3)c2c1)c1cccs1.[H]/N=C(/Cc1ccc2[nH]cc(C3CCCC(NC)C3)c2c1)c1cccs1.[H]/N=C(/Cc1ccc2[nH]cc(C3CCCC(NCC)C3)c2c1)c1cccs1.[H]/N=C(/Cc1ccc2[nH]cc(C3CCCC(NCC)C3)c2c1)c1cccs1.

What is the InChIKey of 2-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;bis(N-ethyl-3-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]cyclohexan-1-amine);tetrakis(3-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N-methylcyclohexan-1-amine)?

The InChIKey is ZAGCYOUBNZUDEZ-DLGWAVQTSA-N. The full InChI is InChI=1S/2C22H27N3S.4C21H25N3S.C21H23N3S/c2*1-2-24-17-6-3-5-16(13-17)19-14-25-21-9-8-15(11-18(19)21)12-20(23)22-7-4-10-26-22;4*1-23-16-5-2-4-15(12-16)18-13-24-20-8-7-14(10-17(18)20)11-19(22)21-6-3-9-25-21;1-2-24-9-7-16(8-10-24)18-14-23-20-6-5-15(12-17(18)20)13-19(22)21-4-3-11-25-21/h2*4,7-11,14,16-17,23-25H,2-3,5-6,12-13H2,1H3;4*3,6-10,13,15-16,22-24H,2,4-5,11-12H2,1H3;3-7,11-12,14,22-23H,2,8-10,13H2,1H3/b2*23-20-;5*22-19-.

What are the key properties of 2-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;bis(N-ethyl-3-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]cyclohexan-1-amine);tetrakis(3-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N-methylcyclohexan-1-amine)?

2-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;bis(N-ethyl-3-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]cyclohexan-1-amine);tetrakis(3-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N-methylcyclohexan-1-amine) has a molecular weight of 2486.67 g/mol, XLogP of 36.24, 37 rotatable bonds, 20 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;bis(N-ethyl-3-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]cyclohexan-1-amine);tetrakis(3-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N-methylcyclohexan-1-amine) is sourced from PubChem (CID 162064286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).