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

C20H29IN4O — CID 110983393

IUPACN-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
SMILESCCN(CC)C(CN/C(=N\C)N1CCc2ccccc21)c1ccco1.I
InChIInChI=1S/C20H28N4O.HI/c1-4-23(5-2)18(19-11-8-14-25-19)15-22-20(21-3)24-13-12-16-9-6-7-10-17(16)24;/h6-11,14,18H,4-5,12-13,15H2,1-3H3,(H,21,22);1H
InChIKeyXQJXBBVQIOWDFB-UHFFFAOYSA-N
MW468.38 g/mol
LogP3.92
Rot. Bonds6

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

N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide (PubChem CID 110983393) has the molecular formula C20H29IN4O and a molecular weight of 468.38 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
PubChem CID110983393
Molecular FormulaC20H29IN4O
Molecular Weight468.38 g/mol
Exact Mass468.14
IUPAC NameN-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
SMILESCCN(CC)C(CN/C(=N\C)N1CCc2ccccc21)c1ccco1.I
InChIInChI=1S/C20H28N4O.HI/c1-4-23(5-2)18(19-11-8-14-25-19)15-22-20(21-3)24-13-12-16-9-6-7-10-17(16)24;/h6-11,14,18H,4-5,12-13,15H2,1-3H3,(H,21,22);1H
InChIKeyXQJXBBVQIOWDFB-UHFFFAOYSA-N
XLogP3.92
TPSA44.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-2-(furan-2-yl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111210893
N-(furan-2-ylmethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 110984232
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-N'-methyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide
CID 110947175
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110983599
N-[2-(diethylamino)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984243
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111220205
N-[2-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 110984363
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 110984566
N-(2-hydroxy-2-phenylethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 119116456
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 110984520
N-(2-methoxy-2-phenylethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110983389
ethyl 1-[N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111155136

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide?
The IUPAC name of N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide (CID 110983393) is N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide is CCN(CC)C(CN/C(=N\C)N1CCc2ccccc21)c1ccco1.I.
What is the InChIKey of N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide?
The InChIKey is XQJXBBVQIOWDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O.HI/c1-4-23(5-2)18(19-11-8-14-25-19)15-22-20(21-3)24-13-12-16-9-6-7-10-17(16)24;/h6-11,14,18H,4-5,12-13,15H2,1-3H3,(H,21,22);1H.
What are the key properties of N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide?
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide has a molecular weight of 468.38 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110983393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).