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

C18H23IN4 — CID 110984033

IUPACN-ethyl-N'-(2-pyridin-2-ylethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCc1ccccn1)N1CCc2ccccc21.I
InChIInChI=1S/C18H22N4.HI/c1-2-19-18(21-13-10-16-8-5-6-12-20-16)22-14-11-15-7-3-4-9-17(15)22;/h3-9,12H,2,10-11,13-14H2,1H3,(H,19,21);1H
InChIKeyINGSSQWBLNVIGX-UHFFFAOYSA-N
MW422.31 g/mol
LogP3.27
Rot. Bonds4

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

N-ethyl-N'-(2-pyridin-2-ylethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide (PubChem CID 110984033) has the molecular formula C18H23IN4 and a molecular weight of 422.31 g/mol. Its IUPAC name is N-ethyl-N'-(2-pyridin-2-ylethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-N'-(2-pyridin-2-ylethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide
PubChem CID110984033
Molecular FormulaC18H23IN4
Molecular Weight422.31 g/mol
Exact Mass422.10
IUPAC NameN-ethyl-N'-(2-pyridin-2-ylethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCc1ccccn1)N1CCc2ccccc21.I
InChIInChI=1S/C18H22N4.HI/c1-2-19-18(21-13-10-16-8-5-6-12-20-16)22-14-11-15-7-3-4-9-17(15)22;/h3-9,12H,2,10-11,13-14H2,1H3,(H,19,21);1H
InChIKeyINGSSQWBLNVIGX-UHFFFAOYSA-N
XLogP3.27
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.31
LogP ≤ 53.27
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-ethyl-N'-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110985179
N'-[2-(diethylamino)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984245
N-ethyl-N'-(2-thiophen-2-ylethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984737
N'-[3-(diethylamino)propyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984305
N-[2-[[2,3-dihydroindol-1-yl(ethylamino)methylidene]amino]ethyl]-2-methylpropanamide
CID 110984746
N-ethyl-N'-(2-methylsulfonylethyl)-2,3-dihydroindole-1-carboximidamide
CID 110983994
N'-(cyclopropylmethyl)-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110985097
N-ethyl-N'-(isoquinolin-1-ylmethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110983871
N-ethyl-N'-[2-(2,3,4-trimethoxyphenyl)ethyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110983431
4-(2,3-dimethylphenyl)-N-ethyl-N'-(2-pyridin-2-ylethyl)piperazine-1-carboximidamide;hydroiodide
CID 111238076
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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(2-pyridin-2-ylethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-N'-(2-pyridin-2-ylethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide (CID 110984033) is N-ethyl-N'-(2-pyridin-2-ylethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-N'-(2-pyridin-2-ylethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-N'-(2-pyridin-2-ylethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide is CCN/C(=N\CCc1ccccn1)N1CCc2ccccc21.I.
What is the InChIKey of N-ethyl-N'-(2-pyridin-2-ylethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide?
The InChIKey is INGSSQWBLNVIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4.HI/c1-2-19-18(21-13-10-16-8-5-6-12-20-16)22-14-11-15-7-3-4-9-17(15)22;/h3-9,12H,2,10-11,13-14H2,1H3,(H,19,21);1H.
What are the key properties of N-ethyl-N'-(2-pyridin-2-ylethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide?
N-ethyl-N'-(2-pyridin-2-ylethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide has a molecular weight of 422.31 g/mol, XLogP of 3.27, 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-pyridin-2-ylethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110984033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).