1-ethyl-2-(2-methoxyethyl)-3-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide

C17H27IN4O — CID 110941363

IUPAC1-ethyl-2-(2-methoxyethyl)-3-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
SMILESCCN/C(=N\CCOC)NCCc1c(C)[nH]c2ccccc12.I
InChIInChI=1S/C17H26N4O.HI/c1-4-18-17(20-11-12-22-3)19-10-9-14-13(2)21-16-8-6-5-7-15(14)16;/h5-8,21H,4,9-12H2,1-3H3,(H2,18,19,20);1H
InChIKeyLNTIJHDGAABXJN-UHFFFAOYSA-N
MW430.33 g/mol
LogP2.84
Rot. Bonds7

About 1-ethyl-2-(2-methoxyethyl)-3-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide

1-ethyl-2-(2-methoxyethyl)-3-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide (PubChem CID 110941363) has the molecular formula C17H27IN4O and a molecular weight of 430.33 g/mol. Its IUPAC name is 1-ethyl-2-(2-methoxyethyl)-3-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-(2-methoxyethyl)-3-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
PubChem CID110941363
Molecular FormulaC17H27IN4O
Molecular Weight430.33 g/mol
Exact Mass430.12
IUPAC Name1-ethyl-2-(2-methoxyethyl)-3-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
SMILESCCN/C(=N\CCOC)NCCc1c(C)[nH]c2ccccc12.I
InChIInChI=1S/C17H26N4O.HI/c1-4-18-17(20-11-12-22-3)19-10-9-14-13(2)21-16-8-6-5-7-15(14)16;/h5-8,21H,4,9-12H2,1-3H3,(H2,18,19,20);1H
InChIKeyLNTIJHDGAABXJN-UHFFFAOYSA-N
XLogP2.84
TPSA61.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.33
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'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

1-(2-methoxyethyl)-2-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine
CID 110941362
1-ethyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111377103
1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111399444
1-(3-methoxypropyl)-2-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine
CID 110975381
2-(2,2-diethyl-4-hydroxybutyl)-1-ethyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine
CID 111716540
1-ethyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine
CID 111602321
1-butan-2-yl-3-ethyl-2-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 110944967
1-[2-(2,6-difluorophenyl)ethyl]-3-ethyl-2-(2-methoxyethyl)guanidine;hydroiodide
CID 110940029
3-[2-[[N-ethyl-N'-[2-(2-methyl-1H-indol-3-yl)ethyl]carbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide;hydroiodide
CID 111670171
1-(1-methoxypropan-2-yl)-2-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine
CID 111237051
1-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-propylguanidine;hydroiodide
CID 111095471
1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[2-(2-methoxyethoxy)ethyl]guanidine;hydroiodide
CID 110995650

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-methoxyethyl)-3-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-(2-methoxyethyl)-3-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide (CID 110941363) is 1-ethyl-2-(2-methoxyethyl)-3-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-(2-methoxyethyl)-3-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-(2-methoxyethyl)-3-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide is CCN/C(=N\CCOC)NCCc1c(C)[nH]c2ccccc12.I.
What is the InChIKey of 1-ethyl-2-(2-methoxyethyl)-3-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide?
The InChIKey is LNTIJHDGAABXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O.HI/c1-4-18-17(20-11-12-22-3)19-10-9-14-13(2)21-16-8-6-5-7-15(14)16;/h5-8,21H,4,9-12H2,1-3H3,(H2,18,19,20);1H.
What are the key properties of 1-ethyl-2-(2-methoxyethyl)-3-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide?
1-ethyl-2-(2-methoxyethyl)-3-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide has a molecular weight of 430.33 g/mol, XLogP of 2.84, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2-methoxyethyl)-3-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 110941363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).