N'-ethyl-2,3-dihydroindole-1-carboximidamide

C11H15N3 — CID 62360655

IUPACN'-ethyl-2,3-dihydroindole-1-carboximidamide
SMILESCC/N=C(\N)N1CCc2ccccc21
InChIInChI=1S/C11H15N3/c1-2-13-11(12)14-8-7-9-5-3-4-6-10(9)14/h3-6H,2,7-8H2,1H3,(H2,12,13)
InChIKeyNQAALUVUMLETGG-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.38
Rot. Bonds1

About N'-ethyl-2,3-dihydroindole-1-carboximidamide

N'-ethyl-2,3-dihydroindole-1-carboximidamide (PubChem CID 62360655) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is N'-ethyl-2,3-dihydroindole-1-carboximidamide.

Molecular Properties

Compound NameN'-ethyl-2,3-dihydroindole-1-carboximidamide
PubChem CID62360655
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC NameN'-ethyl-2,3-dihydroindole-1-carboximidamide
SMILESCC/N=C(\N)N1CCc2ccccc21
InChIInChI=1S/C11H15N3/c1-2-13-11(12)14-8-7-9-5-3-4-6-10(9)14/h3-6H,2,7-8H2,1H3,(H2,12,13)
InChIKeyNQAALUVUMLETGG-UHFFFAOYSA-N
XLogP1.38
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-propyl-2,3-dihydroindole-1-carboximidamide
CID 62360656
N'-hydroxy-2,3-dihydroindole-1-carboximidamide
CID 76944392
N'-hydroxy-2,3-dihydroindole-1-carboximidamide
CID 126972145
N'-ethyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide
CID 110911923
2,3-dihydroindole-1-carbothioic S-acid;propanamide
CID 87347076
N'-(2-methylphenyl)-2,3-dihydroindole-1-carboximidamide;hydrochloride
CID 23503782
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]guanidine
CID 110930545
S-ethyl 2,3-dihydroindole-1-carbothioate
CID 46914254
N'-(3-methylphenyl)-2,3-dihydroindole-1-carboximidamide;hydrochloride
CID 23503705
N'-(4-methoxyphenyl)-2,3-dihydroindole-1-carboximidamide
CID 22627552
1-tert-butyl-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]guanidine
CID 111097765
N-[amino(2,3-dihydroindol-1-yl)methylidene]-4-methylbenzamide
CID 11780892

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-2,3-dihydroindole-1-carboximidamide?
The IUPAC name of N'-ethyl-2,3-dihydroindole-1-carboximidamide (CID 62360655) is N'-ethyl-2,3-dihydroindole-1-carboximidamide.
What is the SMILES notation for N'-ethyl-2,3-dihydroindole-1-carboximidamide?
The canonical SMILES for N'-ethyl-2,3-dihydroindole-1-carboximidamide is CC/N=C(\N)N1CCc2ccccc21.
What is the InChIKey of N'-ethyl-2,3-dihydroindole-1-carboximidamide?
The InChIKey is NQAALUVUMLETGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-2-13-11(12)14-8-7-9-5-3-4-6-10(9)14/h3-6H,2,7-8H2,1H3,(H2,12,13).
What are the key properties of N'-ethyl-2,3-dihydroindole-1-carboximidamide?
N'-ethyl-2,3-dihydroindole-1-carboximidamide has a molecular weight of 189.26 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-2,3-dihydroindole-1-carboximidamide is sourced from PubChem (CID 62360655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).