N'-[2-(diethylamino)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide

C17H29IN4 — CID 110984245

IUPACN'-[2-(diethylamino)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCN(CC)CC)N1CCc2ccccc21.I
InChIInChI=1S/C17H28N4.HI/c1-4-18-17(19-12-14-20(5-2)6-3)21-13-11-15-9-7-8-10-16(15)21;/h7-10H,4-6,11-14H2,1-3H3,(H,18,19);1H
InChIKeyHCGSPYMZQOZJQG-UHFFFAOYSA-N
MW416.35 g/mol
LogP2.97
Rot. Bonds6

About N'-[2-(diethylamino)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide

N'-[2-(diethylamino)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide (PubChem CID 110984245) has the molecular formula C17H29IN4 and a molecular weight of 416.35 g/mol. Its IUPAC name is N'-[2-(diethylamino)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(diethylamino)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
PubChem CID110984245
Molecular FormulaC17H29IN4
Molecular Weight416.35 g/mol
Exact Mass416.14
IUPAC NameN'-[2-(diethylamino)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCN(CC)CC)N1CCc2ccccc21.I
InChIInChI=1S/C17H28N4.HI/c1-4-18-17(19-12-14-20(5-2)6-3)21-13-11-15-9-7-8-10-16(15)21;/h7-10H,4-6,11-14H2,1-3H3,(H,18,19);1H
InChIKeyHCGSPYMZQOZJQG-UHFFFAOYSA-N
XLogP2.97
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.35
LogP ≤ 52.97
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'-[3-(diethylamino)propyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984305
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'-[4-[methyl(propan-2-yl)amino]butyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110985189
N-ethyl-N'-(2-methylsulfonylethyl)-2,3-dihydroindole-1-carboximidamide
CID 110983994
N-[2-(diethylamino)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984243
N'-(cyclopropylmethyl)-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110985097
N'-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984855
N'-(3-ethoxypropyl)-N-ethyl-2,3-dihydroindole-1-carboximidamide
CID 110984024
N-ethyl-N'-(3-propan-2-yloxypropyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984429
N-ethyl-N'-(2-pyridin-2-ylethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984033
N-ethyl-N'-(2-thiophen-2-ylethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984737

Frequently Asked Questions

What is the IUPAC name of N'-[2-(diethylamino)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(diethylamino)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide (CID 110984245) is N'-[2-(diethylamino)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(diethylamino)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(diethylamino)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide is CCN/C(=N\CCN(CC)CC)N1CCc2ccccc21.I.
What is the InChIKey of N'-[2-(diethylamino)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide?
The InChIKey is HCGSPYMZQOZJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4.HI/c1-4-18-17(19-12-14-20(5-2)6-3)21-13-11-15-9-7-8-10-16(15)21;/h7-10H,4-6,11-14H2,1-3H3,(H,18,19);1H.
What are the key properties of N'-[2-(diethylamino)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide?
N'-[2-(diethylamino)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide has a molecular weight of 416.35 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(diethylamino)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110984245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).