1-ethyl-2-(1H-indol-2-ylmethyl)-3-(1-phenylethyl)guanidine;hydroiodide

C20H25IN4 — CID 110948477

IUPAC1-ethyl-2-(1H-indol-2-ylmethyl)-3-(1-phenylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\Cc1cc2ccccc2[nH]1)NC(C)c1ccccc1.I
InChIInChI=1S/C20H24N4.HI/c1-3-21-20(23-15(2)16-9-5-4-6-10-16)22-14-18-13-17-11-7-8-12-19(17)24-18;/h4-13,15,24H,3,14H2,1-2H3,(H2,21,22,23);1H
InChIKeyNUYDXYDBRXTANT-UHFFFAOYSA-N
MW448.35 g/mol
LogP4.60
Rot. Bonds5

About 1-ethyl-2-(1H-indol-2-ylmethyl)-3-(1-phenylethyl)guanidine;hydroiodide

1-ethyl-2-(1H-indol-2-ylmethyl)-3-(1-phenylethyl)guanidine;hydroiodide (PubChem CID 110948477) has the molecular formula C20H25IN4 and a molecular weight of 448.35 g/mol. Its IUPAC name is 1-ethyl-2-(1H-indol-2-ylmethyl)-3-(1-phenylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-(1H-indol-2-ylmethyl)-3-(1-phenylethyl)guanidine;hydroiodide
PubChem CID110948477
Molecular FormulaC20H25IN4
Molecular Weight448.35 g/mol
Exact Mass448.11
IUPAC Name1-ethyl-2-(1H-indol-2-ylmethyl)-3-(1-phenylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\Cc1cc2ccccc2[nH]1)NC(C)c1ccccc1.I
InChIInChI=1S/C20H24N4.HI/c1-3-21-20(23-15(2)16-9-5-4-6-10-16)22-14-18-13-17-11-7-8-12-19(17)24-18;/h4-13,15,24H,3,14H2,1-2H3,(H2,21,22,23);1H
InChIKeyNUYDXYDBRXTANT-UHFFFAOYSA-N
XLogP4.60
TPSA52.21 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.35
LogP ≤ 54.60
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-(1H-indol-2-ylmethyl)-3-propan-2-ylguanidine
CID 111126946
1-ethyl-2-(1H-indol-2-ylmethyl)-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111234994
1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-(1H-indol-2-ylmethyl)guanidine;hydroiodide
CID 110998394
2-benzyl-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 110948673
1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-(1H-indol-2-ylmethyl)guanidine
CID 111247251
1-ethyl-2-(1H-indol-2-ylmethyl)-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109473466
N-tert-butyl-2-[[N-ethyl-N'-(1H-indol-2-ylmethyl)carbamimidoyl]amino]acetamide;hydroiodide
CID 111384718
2-[[N-ethyl-N'-(1H-indol-2-ylmethyl)carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 111365316
1-cyclopentyl-3-ethyl-2-(1H-indol-2-ylmethyl)guanidine
CID 110990559
1-ethyl-2-(1H-indol-2-ylmethyl)-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111139660
1-ethyl-2-(1H-indol-2-ylmethyl)-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine
CID 111930820
1-ethyl-2-(1H-indol-2-ylmethyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111014196

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(1H-indol-2-ylmethyl)-3-(1-phenylethyl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-(1H-indol-2-ylmethyl)-3-(1-phenylethyl)guanidine;hydroiodide (CID 110948477) is 1-ethyl-2-(1H-indol-2-ylmethyl)-3-(1-phenylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-(1H-indol-2-ylmethyl)-3-(1-phenylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-(1H-indol-2-ylmethyl)-3-(1-phenylethyl)guanidine;hydroiodide is CCN/C(=N\Cc1cc2ccccc2[nH]1)NC(C)c1ccccc1.I.
What is the InChIKey of 1-ethyl-2-(1H-indol-2-ylmethyl)-3-(1-phenylethyl)guanidine;hydroiodide?
The InChIKey is NUYDXYDBRXTANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4.HI/c1-3-21-20(23-15(2)16-9-5-4-6-10-16)22-14-18-13-17-11-7-8-12-19(17)24-18;/h4-13,15,24H,3,14H2,1-2H3,(H2,21,22,23);1H.
What are the key properties of 1-ethyl-2-(1H-indol-2-ylmethyl)-3-(1-phenylethyl)guanidine;hydroiodide?
1-ethyl-2-(1H-indol-2-ylmethyl)-3-(1-phenylethyl)guanidine;hydroiodide has a molecular weight of 448.35 g/mol, XLogP of 4.60, 5 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(1H-indol-2-ylmethyl)-3-(1-phenylethyl)guanidine;hydroiodide is sourced from PubChem (CID 110948477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).