N-ethyl-N'-(2-thiophen-2-ylethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide

C17H22IN3S — CID 110984737

IUPACN-ethyl-N'-(2-thiophen-2-ylethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCc1cccs1)N1CCc2ccccc21.I
InChIInChI=1S/C17H21N3S.HI/c1-2-18-17(19-11-9-15-7-5-13-21-15)20-12-10-14-6-3-4-8-16(14)20;/h3-8,13H,2,9-12H2,1H3,(H,18,19);1H
InChIKeyRDWKWTACPPWYLD-UHFFFAOYSA-N
MW427.36 g/mol
LogP3.94
Rot. Bonds4

About N-ethyl-N'-(2-thiophen-2-ylethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide

N-ethyl-N'-(2-thiophen-2-ylethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide (PubChem CID 110984737) has the molecular formula C17H22IN3S and a molecular weight of 427.36 g/mol. Its IUPAC name is N-ethyl-N'-(2-thiophen-2-ylethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-N'-(2-thiophen-2-ylethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide
PubChem CID110984737
Molecular FormulaC17H22IN3S
Molecular Weight427.36 g/mol
Exact Mass427.06
IUPAC NameN-ethyl-N'-(2-thiophen-2-ylethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCc1cccs1)N1CCc2ccccc21.I
InChIInChI=1S/C17H21N3S.HI/c1-2-18-17(19-11-9-15-7-5-13-21-15)20-12-10-14-6-3-4-8-16(14)20;/h3-8,13H,2,9-12H2,1H3,(H,18,19);1H
InChIKeyRDWKWTACPPWYLD-UHFFFAOYSA-N
XLogP3.94
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.36
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N'-[2-(diethylamino)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984245
N-ethyl-N'-(2-pyridin-2-ylethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984033
N-ethyl-4-(2-hydroxyphenyl)-N'-(2-thiophen-2-ylethyl)piperazine-1-carboximidamide;hydroiodide
CID 111185675
N-ethyl-N'-(2-methylsulfonylethyl)-2,3-dihydroindole-1-carboximidamide
CID 110983994
N'-[3-(diethylamino)propyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984305
N'-(cyclopropylmethyl)-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110985097
N-ethyl-N'-[2-(2,3,4-trimethoxyphenyl)ethyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110983431
N-ethyl-N'-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2,3-dihydroindole-1-carboximidamide
CID 110984718
N'-(3-ethoxypropyl)-N-ethyl-2,3-dihydroindole-1-carboximidamide
CID 110984024
N'-[4-(diethylamino)butyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide
CID 110983746
N-ethyl-N'-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984201
N-ethyl-N'-(3-propan-2-yloxypropyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984429

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(2-thiophen-2-ylethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-N'-(2-thiophen-2-ylethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide (CID 110984737) is N-ethyl-N'-(2-thiophen-2-ylethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-N'-(2-thiophen-2-ylethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-N'-(2-thiophen-2-ylethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide is CCN/C(=N\CCc1cccs1)N1CCc2ccccc21.I.
What is the InChIKey of N-ethyl-N'-(2-thiophen-2-ylethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide?
The InChIKey is RDWKWTACPPWYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3S.HI/c1-2-18-17(19-11-9-15-7-5-13-21-15)20-12-10-14-6-3-4-8-16(14)20;/h3-8,13H,2,9-12H2,1H3,(H,18,19);1H.
What are the key properties of N-ethyl-N'-(2-thiophen-2-ylethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide?
N-ethyl-N'-(2-thiophen-2-ylethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide has a molecular weight of 427.36 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(2-thiophen-2-ylethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110984737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).