4-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]-N,N-dimethylcyclohexan-1-amine;formic acid;methoxymethane;propane

C27H49N3O4 — CID 166467583

About 4-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]-N,N-dimethylcyclohexan-1-amine;formic acid;methoxymethane;propane

4-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]-N,N-dimethylcyclohexan-1-amine;formic acid;methoxymethane;propane (PubChem CID 166467583) has the molecular formula C27H49N3O4 and a molecular weight of 479.71 g/mol. Its IUPAC name is 4-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]-N,N-dimethylcyclohexan-1-amine;formic acid;methoxymethane;propane.

Molecular Properties

• Compound Name: 4-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]-N,N-dimethylcyclohexan-1-amine;formic acid;methoxymethane;propane
• PubChem CID: 166467583
• Molecular Formula: C27H49N3O4
• Molecular Weight: 479.71 g/mol
• Exact Mass: 479.37
• IUPAC Name: 4-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]-N,N-dimethylcyclohexan-1-amine;formic acid;methoxymethane;propane
• SMILES: CCC.COC.COc1ccc2c(c1)c(CCN(C)C)cn2C1CCC(N(C)C)CC1.O=CO
• InChI: InChI=1S/C21H33N3O.C3H8.C2H6O.CH2O2/c1-22(2)13-12-16-15-24(18-8-6-17(7-9-18)23(3)4)21-11-10-19(25-5)14-20(16)21;2*1-3-2;2-1-3/h10-11,14-15,17-18H,6-9,12-13H2,1-5H3;3H2,1-2H3;1-2H3;1H,(H,2,3)
• InChIKey: FUKLZSUOFJWGII-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 67.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.71
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]-N,N-dimethylcyclohexan-1-amine;formic acid;methoxymethane;propane?

The IUPAC name of 4-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]-N,N-dimethylcyclohexan-1-amine;formic acid;methoxymethane;propane (CID 166467583) is 4-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]-N,N-dimethylcyclohexan-1-amine;formic acid;methoxymethane;propane.

What is the SMILES notation for 4-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]-N,N-dimethylcyclohexan-1-amine;formic acid;methoxymethane;propane?

The canonical SMILES for 4-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]-N,N-dimethylcyclohexan-1-amine;formic acid;methoxymethane;propane is CCC.COC.COc1ccc2c(c1)c(CCN(C)C)cn2C1CCC(N(C)C)CC1.O=CO.

What is the InChIKey of 4-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]-N,N-dimethylcyclohexan-1-amine;formic acid;methoxymethane;propane?

The InChIKey is FUKLZSUOFJWGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O.C3H8.C2H6O.CH2O2/c1-22(2)13-12-16-15-24(18-8-6-17(7-9-18)23(3)4)21-11-10-19(25-5)14-20(16)21;2*1-3-2;2-1-3/h10-11,14-15,17-18H,6-9,12-13H2,1-5H3;3H2,1-2H3;1-2H3;1H,(H,2,3).

What are the key properties of 4-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]-N,N-dimethylcyclohexan-1-amine;formic acid;methoxymethane;propane?

4-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]-N,N-dimethylcyclohexan-1-amine;formic acid;methoxymethane;propane has a molecular weight of 479.71 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]-N,N-dimethylcyclohexan-1-amine;formic acid;methoxymethane;propane is sourced from PubChem (CID 166467583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).