N-ethyl-N'-(furan-2-ylmethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide

C16H20IN3O — CID 110984233

IUPACN-ethyl-N'-(furan-2-ylmethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\Cc1ccco1)N1CCc2ccccc21.I
InChIInChI=1S/C16H19N3O.HI/c1-2-17-16(18-12-14-7-5-11-20-14)19-10-9-13-6-3-4-8-15(13)19;/h3-8,11H,2,9-10,12H2,1H3,(H,17,18);1H
InChIKeyCWEXVKGSNSNBKT-UHFFFAOYSA-N
MW397.26 g/mol
LogP3.43
Rot. Bonds3

About N-ethyl-N'-(furan-2-ylmethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide

N-ethyl-N'-(furan-2-ylmethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide (PubChem CID 110984233) has the molecular formula C16H20IN3O and a molecular weight of 397.26 g/mol. Its IUPAC name is N-ethyl-N'-(furan-2-ylmethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-N'-(furan-2-ylmethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide
PubChem CID110984233
Molecular FormulaC16H20IN3O
Molecular Weight397.26 g/mol
Exact Mass397.07
IUPAC NameN-ethyl-N'-(furan-2-ylmethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\Cc1ccco1)N1CCc2ccccc21.I
InChIInChI=1S/C16H19N3O.HI/c1-2-17-16(18-12-14-7-5-11-20-14)19-10-9-13-6-3-4-8-15(13)19;/h3-8,11H,2,9-10,12H2,1H3,(H,17,18);1H
InChIKeyCWEXVKGSNSNBKT-UHFFFAOYSA-N
XLogP3.43
TPSA40.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.26
LogP ≤ 53.43
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-(furan-2-ylmethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 110984232
N-ethyl-N'-(furan-2-ylmethyl)-4-(2-hydroxyphenyl)piperazine-1-carboximidamide;hydroiodide
CID 111186043
N'-(cyclopropylmethyl)-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110985097
N'-[2-(furan-2-yl)ethyl]-N-prop-2-enyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 136926135
N-ethyl-N'-(isoquinolin-1-ylmethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110983871
N-ethyl-N'-(1H-pyrazol-5-ylmethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110985025
N'-[2-(diethylamino)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984245
N-ethyl-N'-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110983387
4-[[[2,3-dihydroindol-1-yl(ethylamino)methylidene]amino]methyl]-N-methylbenzamide
CID 110983328
N-ethyl-N'-(isoquinolin-1-ylmethyl)-2,3-dihydroindole-1-carboximidamide
CID 110983872
2-[[2,3-dihydroindol-1-yl-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111548686
N-ethyl-N'-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide
CID 110983388

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(furan-2-ylmethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-N'-(furan-2-ylmethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide (CID 110984233) is N-ethyl-N'-(furan-2-ylmethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-N'-(furan-2-ylmethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-N'-(furan-2-ylmethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide is CCN/C(=N\Cc1ccco1)N1CCc2ccccc21.I.
What is the InChIKey of N-ethyl-N'-(furan-2-ylmethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide?
The InChIKey is CWEXVKGSNSNBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O.HI/c1-2-17-16(18-12-14-7-5-11-20-14)19-10-9-13-6-3-4-8-15(13)19;/h3-8,11H,2,9-10,12H2,1H3,(H,17,18);1H.
What are the key properties of N-ethyl-N'-(furan-2-ylmethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide?
N-ethyl-N'-(furan-2-ylmethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide has a molecular weight of 397.26 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(furan-2-ylmethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110984233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).