N'-(3-ethylphenyl)-2,3-dihydroindole-1-carboximidamide

C17H19N3 — CID 11777643

IUPACN'-(3-ethylphenyl)-2,3-dihydroindole-1-carboximidamide
SMILESCCc1cccc(/N=C(\N)N2CCc3ccccc32)c1
InChIInChI=1S/C17H19N3/c1-2-13-6-5-8-15(12-13)19-17(18)20-11-10-14-7-3-4-9-16(14)20/h3-9,12H,2,10-11H2,1H3,(H2,18,19)
InChIKeyOUKIBIYFTGZAPH-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.26
Rot. Bonds2

About N'-(3-ethylphenyl)-2,3-dihydroindole-1-carboximidamide

N'-(3-ethylphenyl)-2,3-dihydroindole-1-carboximidamide (PubChem CID 11777643) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is N'-(3-ethylphenyl)-2,3-dihydroindole-1-carboximidamide.

Molecular Properties

Compound NameN'-(3-ethylphenyl)-2,3-dihydroindole-1-carboximidamide
PubChem CID11777643
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC NameN'-(3-ethylphenyl)-2,3-dihydroindole-1-carboximidamide
SMILESCCc1cccc(/N=C(\N)N2CCc3ccccc32)c1
InChIInChI=1S/C17H19N3/c1-2-13-6-5-8-15(12-13)19-17(18)20-11-10-14-7-3-4-9-16(14)20/h3-9,12H,2,10-11H2,1H3,(H2,18,19)
InChIKeyOUKIBIYFTGZAPH-UHFFFAOYSA-N
XLogP3.26
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.26
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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Frequently Asked Questions

What is the IUPAC name of N'-(3-ethylphenyl)-2,3-dihydroindole-1-carboximidamide?
The IUPAC name of N'-(3-ethylphenyl)-2,3-dihydroindole-1-carboximidamide (CID 11777643) is N'-(3-ethylphenyl)-2,3-dihydroindole-1-carboximidamide.
What is the SMILES notation for N'-(3-ethylphenyl)-2,3-dihydroindole-1-carboximidamide?
The canonical SMILES for N'-(3-ethylphenyl)-2,3-dihydroindole-1-carboximidamide is CCc1cccc(/N=C(\N)N2CCc3ccccc32)c1.
What is the InChIKey of N'-(3-ethylphenyl)-2,3-dihydroindole-1-carboximidamide?
The InChIKey is OUKIBIYFTGZAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-2-13-6-5-8-15(12-13)19-17(18)20-11-10-14-7-3-4-9-16(14)20/h3-9,12H,2,10-11H2,1H3,(H2,18,19).
What are the key properties of N'-(3-ethylphenyl)-2,3-dihydroindole-1-carboximidamide?
N'-(3-ethylphenyl)-2,3-dihydroindole-1-carboximidamide has a molecular weight of 265.36 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-ethylphenyl)-2,3-dihydroindole-1-carboximidamide is sourced from PubChem (CID 11777643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).