1-(furan-2-yl)-2-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]ethanimine;4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylcyclohexan-1-amine;4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylcyclohex-3-en-1-amine

C₆₃H₇₃N₉OS₂ — CID 123653830

About 1-(furan-2-yl)-2-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]ethanimine;4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylcyclohexan-1-amine;4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylcyclohex-3-en-1-amine

1-(furan-2-yl)-2-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]ethanimine;4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylcyclohexan-1-amine;4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylcyclohex-3-en-1-amine (PubChem CID 123653830) has the molecular formula C₆₃H₇₃N₉OS₂ and a molecular weight of 1036.47 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]ethanimine;4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylcyclohexan-1-amine;4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylcyclohex-3-en-1-amine.

Molecular Properties

• Compound Name: 1-(furan-2-yl)-2-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]ethanimine;4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylcyclohexan-1-amine;4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylcyclohex-3-en-1-amine
• PubChem CID: 123653830
• Molecular Formula: C₆₃H₇₃N₉OS₂
• Molecular Weight: 1036.47 g/mol
• Exact Mass: 1035.54
• IUPAC Name: 1-(furan-2-yl)-2-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]ethanimine;4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylcyclohexan-1-amine;4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylcyclohex-3-en-1-amine
• SMILES: [H]/N=C(/Cc1ccc2[nH]cc(C3=CCC(N(C)C)CC3)c2c1)c1cccs1.[H]/N=C(/Cc1ccc2[nH]cc(C3CCC(N(C)C)CC3)c2c1)c1cccs1.[H]/N=C(/Cc1ccc2[nH]cc(C3CCN(C)C3)c2c1)c1ccco1
• InChI: InChI=1S/C22H27N3S.C22H25N3S.C19H21N3O/c2*1-25(2)17-8-6-16(7-9-17)19-14-24-21-10-5-15(12-18(19)21)13-20(23)22-4-3-11-26-22;1-22-7-6-14(12-22)16-11-21-18-5-4-13(9-15(16)18)10-17(20)19-3-2-8-23-19/h3-5,10-12,14,16-17,23-24H,6-9,13H2,1-2H3;3-6,10-12,14,17,23-24H,7-9,13H2,1-2H3;2-5,8-9,11,14,20-21H,6-7,10,12H2,1H3/b2*23-20-;20-17-
• InChIKey: QHXGYIBERWBVSA-NMPGEIIZSA-N
• XLogP: 14.56
• TPSA: 141.78 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 9
• Rotatable Bonds: 14
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1036.47
LogP ≤ 5	14.56
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]ethanimine;4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylcyclohexan-1-amine;4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylcyclohex-3-en-1-amine?

The IUPAC name of 1-(furan-2-yl)-2-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]ethanimine;4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylcyclohexan-1-amine;4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylcyclohex-3-en-1-amine (CID 123653830) is 1-(furan-2-yl)-2-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]ethanimine;4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylcyclohexan-1-amine;4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylcyclohex-3-en-1-amine.

What is the SMILES notation for 1-(furan-2-yl)-2-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]ethanimine;4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylcyclohexan-1-amine;4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylcyclohex-3-en-1-amine?

The canonical SMILES for 1-(furan-2-yl)-2-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]ethanimine;4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylcyclohexan-1-amine;4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylcyclohex-3-en-1-amine is [H]/N=C(/Cc1ccc2[nH]cc(C3=CCC(N(C)C)CC3)c2c1)c1cccs1.[H]/N=C(/Cc1ccc2[nH]cc(C3CCC(N(C)C)CC3)c2c1)c1cccs1.[H]/N=C(/Cc1ccc2[nH]cc(C3CCN(C)C3)c2c1)c1ccco1.

What is the InChIKey of 1-(furan-2-yl)-2-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]ethanimine;4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylcyclohexan-1-amine;4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylcyclohex-3-en-1-amine?

The InChIKey is QHXGYIBERWBVSA-NMPGEIIZSA-N. The full InChI is InChI=1S/C22H27N3S.C22H25N3S.C19H21N3O/c2*1-25(2)17-8-6-16(7-9-17)19-14-24-21-10-5-15(12-18(19)21)13-20(23)22-4-3-11-26-22;1-22-7-6-14(12-22)16-11-21-18-5-4-13(9-15(16)18)10-17(20)19-3-2-8-23-19/h3-5,10-12,14,16-17,23-24H,6-9,13H2,1-2H3;3-6,10-12,14,17,23-24H,7-9,13H2,1-2H3;2-5,8-9,11,14,20-21H,6-7,10,12H2,1H3/b2*23-20-;20-17-.

What are the key properties of 1-(furan-2-yl)-2-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]ethanimine;4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylcyclohexan-1-amine;4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylcyclohex-3-en-1-amine?

1-(furan-2-yl)-2-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]ethanimine;4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylcyclohexan-1-amine;4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylcyclohex-3-en-1-amine has a molecular weight of 1036.47 g/mol, XLogP of 14.56, 14 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(furan-2-yl)-2-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]ethanimine;4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylcyclohexan-1-amine;4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylcyclohex-3-en-1-amine is sourced from PubChem (CID 123653830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 123653830 — identifiers, structure, computed properties (public domain)

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