1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine;hydroiodide

C20H35IN4O2 — CID 111407100

IUPAC1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine;hydroiodide
SMILESCCN/C(=N\CCCOCCOC)NCCN1c2ccccc2CC1C.I
InChIInChI=1S/C20H34N4O2.HI/c1-4-21-20(22-10-7-13-26-15-14-25-3)23-11-12-24-17(2)16-18-8-5-6-9-19(18)24;/h5-6,8-9,17H,4,7,10-16H2,1-3H3,(H2,21,22,23);1H
InChIKeyWUJPUAJQKLEILH-UHFFFAOYSA-N
MW490.43 g/mol
LogP2.66
Rot. Bonds11

About 1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine;hydroiodide

1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine;hydroiodide (PubChem CID 111407100) has the molecular formula C20H35IN4O2 and a molecular weight of 490.43 g/mol. Its IUPAC name is 1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine;hydroiodide
PubChem CID111407100
Molecular FormulaC20H35IN4O2
Molecular Weight490.43 g/mol
Exact Mass490.18
IUPAC Name1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine;hydroiodide
SMILESCCN/C(=N\CCCOCCOC)NCCN1c2ccccc2CC1C.I
InChIInChI=1S/C20H34N4O2.HI/c1-4-21-20(22-10-7-13-26-15-14-25-3)23-11-12-24-17(2)16-18-8-5-6-9-19(18)24;/h5-6,8-9,17H,4,7,10-16H2,1-3H3,(H2,21,22,23);1H
InChIKeyWUJPUAJQKLEILH-UHFFFAOYSA-N
XLogP2.66
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.43
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

2-(2-ethoxyethyl)-1-ethyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine;hydroiodide
CID 111896094
2-(2-ethoxyethyl)-1-ethyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine
CID 111896095
1-ethyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-[3-(oxolan-3-ylmethoxy)propyl]guanidine;hydroiodide
CID 111645479
1-ethyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 110971986
1-[2-(4-benzylpiperazin-1-yl)ethyl]-3-ethyl-2-[3-(2-methoxyethoxy)propyl]guanidine;hydroiodide
CID 111406856
2-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]-1-ethyl-3-[3-(2-methoxyethoxy)propyl]guanidine;hydroiodide
CID 111558906
1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-[3-(4-phenylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111406620
1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine;hydroiodide
CID 111579470
1-[2-(2,6-dimethylphenoxy)ethyl]-3-ethyl-2-[3-(2-methoxyethoxy)propyl]guanidine;hydroiodide
CID 111404214
1-ethyl-3-[2-(2-methoxyethoxy)ethyl]-2-[3-(2-methoxyethoxy)propyl]guanidine
CID 111404627
1,3-diethyl-2-[3-(2-methoxyethoxy)propyl]guanidine
CID 110926989
1-ethyl-3-[4-(2-methoxyethoxy)butyl]-2-(3-phenoxypropyl)guanidine
CID 111418357

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine;hydroiodide (CID 111407100) is 1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine;hydroiodide is CCN/C(=N\CCCOCCOC)NCCN1c2ccccc2CC1C.I.
What is the InChIKey of 1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine;hydroiodide?
The InChIKey is WUJPUAJQKLEILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O2.HI/c1-4-21-20(22-10-7-13-26-15-14-25-3)23-11-12-24-17(2)16-18-8-5-6-9-19(18)24;/h5-6,8-9,17H,4,7,10-16H2,1-3H3,(H2,21,22,23);1H.
What are the key properties of 1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine;hydroiodide?
1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine;hydroiodide has a molecular weight of 490.43 g/mol, XLogP of 2.66, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 111407100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).