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

C21H27IN4 — CID 110996306

IUPAC1-ethyl-2-[2-(1H-indol-3-yl)ethyl]-3-(2-phenylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCc1c[nH]c2ccccc12)NCCc1ccccc1.I
InChIInChI=1S/C21H26N4.HI/c1-2-22-21(23-14-12-17-8-4-3-5-9-17)24-15-13-18-16-25-20-11-7-6-10-19(18)20;/h3-11,16,25H,2,12-15H2,1H3,(H2,22,23,24);1H
InChIKeyKCDFLZKUXHIFME-UHFFFAOYSA-N
MW462.38 g/mol
LogP4.13
Rot. Bonds7

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

1-ethyl-2-[2-(1H-indol-3-yl)ethyl]-3-(2-phenylethyl)guanidine;hydroiodide (PubChem CID 110996306) has the molecular formula C21H27IN4 and a molecular weight of 462.38 g/mol. Its IUPAC name is 1-ethyl-2-[2-(1H-indol-3-yl)ethyl]-3-(2-phenylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-[2-(1H-indol-3-yl)ethyl]-3-(2-phenylethyl)guanidine;hydroiodide
PubChem CID110996306
Molecular FormulaC21H27IN4
Molecular Weight462.38 g/mol
Exact Mass462.13
IUPAC Name1-ethyl-2-[2-(1H-indol-3-yl)ethyl]-3-(2-phenylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCc1c[nH]c2ccccc12)NCCc1ccccc1.I
InChIInChI=1S/C21H26N4.HI/c1-2-22-21(23-14-12-17-8-4-3-5-9-17)24-15-13-18-16-25-20-11-7-6-10-19(18)20;/h3-11,16,25H,2,12-15H2,1H3,(H2,22,23,24);1H
InChIKeyKCDFLZKUXHIFME-UHFFFAOYSA-N
XLogP4.13
TPSA52.21 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.38
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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-ethyl-2-[2-(1H-indol-3-yl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]guanidine
CID 110996329
1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-propylguanidine
CID 110996369
3-[2-[[N-ethyl-N'-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide;hydroiodide
CID 111667875
1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[2-(2-methoxyphenyl)ethyl]guanidine
CID 110996661
2-(2-ethoxyethyl)-1-ethyl-3-[2-(1H-indol-3-yl)ethyl]guanidine
CID 110997457
N-[2-[[N-ethyl-N'-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]amino]ethyl]-2-(4-fluorophenyl)acetamide
CID 110996221
N-[2-[[N-ethyl-N'-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]amino]ethyl]-2-hydroxybenzamide;hydroiodide
CID 110997416
2-[2-(1-benzylimidazol-2-yl)ethyl]-1-ethyl-3-[2-(1H-indol-3-yl)ethyl]guanidine
CID 110997347
1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[2-(3-methyl-4-pyridinyl)ethyl]guanidine;hydroiodide
CID 109400928
N-[2-[[N-ethyl-N'-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide
CID 110996545
1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[2-(2-methoxyethoxy)ethyl]guanidine;hydroiodide
CID 110995650
N-[2-[[N-ethyl-N'-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 110995873

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(1H-indol-3-yl)ethyl]-3-(2-phenylethyl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-[2-(1H-indol-3-yl)ethyl]-3-(2-phenylethyl)guanidine;hydroiodide (CID 110996306) is 1-ethyl-2-[2-(1H-indol-3-yl)ethyl]-3-(2-phenylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-[2-(1H-indol-3-yl)ethyl]-3-(2-phenylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-[2-(1H-indol-3-yl)ethyl]-3-(2-phenylethyl)guanidine;hydroiodide is CCN/C(=N\CCc1c[nH]c2ccccc12)NCCc1ccccc1.I.
What is the InChIKey of 1-ethyl-2-[2-(1H-indol-3-yl)ethyl]-3-(2-phenylethyl)guanidine;hydroiodide?
The InChIKey is KCDFLZKUXHIFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4.HI/c1-2-22-21(23-14-12-17-8-4-3-5-9-17)24-15-13-18-16-25-20-11-7-6-10-19(18)20;/h3-11,16,25H,2,12-15H2,1H3,(H2,22,23,24);1H.
What are the key properties of 1-ethyl-2-[2-(1H-indol-3-yl)ethyl]-3-(2-phenylethyl)guanidine;hydroiodide?
1-ethyl-2-[2-(1H-indol-3-yl)ethyl]-3-(2-phenylethyl)guanidine;hydroiodide has a molecular weight of 462.38 g/mol, XLogP of 4.13, 7 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(1H-indol-3-yl)ethyl]-3-(2-phenylethyl)guanidine;hydroiodide is sourced from PubChem (CID 110996306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).