2-[[[3-(4,6-dimethoxy-1H-indol-2-yl)propylamino]-(prop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide

C21H32IN5O3 — CID 110033508

About 2-[[[3-(4,6-dimethoxy-1H-indol-2-yl)propylamino]-(prop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide

2-[[[3-(4,6-dimethoxy-1H-indol-2-yl)propylamino]-(prop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide (PubChem CID 110033508) has the molecular formula C21H32IN5O3 and a molecular weight of 529.42 g/mol. Its IUPAC name is 2-[[[3-(4,6-dimethoxy-1H-indol-2-yl)propylamino]-(prop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide.

Molecular Properties

• Compound Name: 2-[[[3-(4,6-dimethoxy-1H-indol-2-yl)propylamino]-(prop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
• PubChem CID: 110033508
• Molecular Formula: C21H32IN5O3
• Molecular Weight: 529.42 g/mol
• Exact Mass: 529.15
• IUPAC Name: 2-[[[3-(4,6-dimethoxy-1H-indol-2-yl)propylamino]-(prop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
• SMILES: C=CCN/C(=N\CC(=O)N(C)C)NCCCc1cc2c(OC)cc(OC)cc2[nH]1.I
• InChI: InChI=1S/C21H31N5O3.HI/c1-6-9-22-21(24-14-20(27)26(2)3)23-10-7-8-15-11-17-18(25-15)12-16(28-4)13-19(17)29-5;/h6,11-13,25H,1,7-10,14H2,2-5H3,(H2,22,23,24);1H
• InChIKey: UDXMRJQJDYACRC-UHFFFAOYSA-N
• XLogP: 2.55
• TPSA: 90.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.42
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[[3-(4,6-dimethoxy-1H-indol-2-yl)propylamino]-(prop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide?

The IUPAC name of 2-[[[3-(4,6-dimethoxy-1H-indol-2-yl)propylamino]-(prop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide (CID 110033508) is 2-[[[3-(4,6-dimethoxy-1H-indol-2-yl)propylamino]-(prop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide.

What is the SMILES notation for 2-[[[3-(4,6-dimethoxy-1H-indol-2-yl)propylamino]-(prop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide?

The canonical SMILES for 2-[[[3-(4,6-dimethoxy-1H-indol-2-yl)propylamino]-(prop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide is C=CCN/C(=N\CC(=O)N(C)C)NCCCc1cc2c(OC)cc(OC)cc2[nH]1.I.

What is the InChIKey of 2-[[[3-(4,6-dimethoxy-1H-indol-2-yl)propylamino]-(prop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide?

The InChIKey is UDXMRJQJDYACRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O3.HI/c1-6-9-22-21(24-14-20(27)26(2)3)23-10-7-8-15-11-17-18(25-15)12-16(28-4)13-19(17)29-5;/h6,11-13,25H,1,7-10,14H2,2-5H3,(H2,22,23,24);1H.

What are the key properties of 2-[[[3-(4,6-dimethoxy-1H-indol-2-yl)propylamino]-(prop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide?

2-[[[3-(4,6-dimethoxy-1H-indol-2-yl)propylamino]-(prop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide has a molecular weight of 529.42 g/mol, XLogP of 2.55, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[[3-(4,6-dimethoxy-1H-indol-2-yl)propylamino]-(prop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide is sourced from PubChem (CID 110033508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).