N'-methyl-N-[2-(3-methylmorpholin-4-yl)ethyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide

C17H27IN4O — CID 119116501

IUPACN'-methyl-N-[2-(3-methylmorpholin-4-yl)ethyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCN1CCOCC1C)N1CCc2ccccc21.I
InChIInChI=1S/C17H26N4O.HI/c1-14-13-22-12-11-20(14)10-8-19-17(18-2)21-9-7-15-5-3-4-6-16(15)21;/h3-6,14H,7-13H2,1-2H3,(H,18,19);1H
InChIKeyAIJSUJIGFIWNJA-UHFFFAOYSA-N
MW430.33 g/mol
LogP1.96
Rot. Bonds3

About N'-methyl-N-[2-(3-methylmorpholin-4-yl)ethyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide

N'-methyl-N-[2-(3-methylmorpholin-4-yl)ethyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide (PubChem CID 119116501) has the molecular formula C17H27IN4O and a molecular weight of 430.33 g/mol. Its IUPAC name is N'-methyl-N-[2-(3-methylmorpholin-4-yl)ethyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-methyl-N-[2-(3-methylmorpholin-4-yl)ethyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide
PubChem CID119116501
Molecular FormulaC17H27IN4O
Molecular Weight430.33 g/mol
Exact Mass430.12
IUPAC NameN'-methyl-N-[2-(3-methylmorpholin-4-yl)ethyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCN1CCOCC1C)N1CCc2ccccc21.I
InChIInChI=1S/C17H26N4O.HI/c1-14-13-22-12-11-20(14)10-8-19-17(18-2)21-9-7-15-5-3-4-6-16(15)21;/h3-6,14H,7-13H2,1-2H3,(H,18,19);1H
InChIKeyAIJSUJIGFIWNJA-UHFFFAOYSA-N
XLogP1.96
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.33
LogP ≤ 51.96
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'-methyl-N-(2-piperidin-1-ylethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984997
N-[2-(diethylamino)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984243
N'-methyl-N-pentyl-2,3-dihydroindole-1-carboximidamide
CID 110984242
N'-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2,3-dihydroindole-1-carboximidamide
CID 110983986
N-ethyl-N'-[2-(3-methylmorpholin-4-yl)propyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 111548684
N-(2-imidazol-1-ylethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 110984740
N-[2-[di(propan-2-yl)amino]ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 110984324
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 111495333
N-(furan-3-ylmethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 119116402
N-[4-(4-ethylpiperazin-1-yl)butyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 110983754
N-[2-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 110984363
N'-methyl-N-[4-(3-methylpiperidin-1-yl)butyl]-2,3-dihydroindole-1-carboximidamide
CID 110983752

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[2-(3-methylmorpholin-4-yl)ethyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide?
The IUPAC name of N'-methyl-N-[2-(3-methylmorpholin-4-yl)ethyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide (CID 119116501) is N'-methyl-N-[2-(3-methylmorpholin-4-yl)ethyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-methyl-N-[2-(3-methylmorpholin-4-yl)ethyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-methyl-N-[2-(3-methylmorpholin-4-yl)ethyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide is C/N=C(\NCCN1CCOCC1C)N1CCc2ccccc21.I.
What is the InChIKey of N'-methyl-N-[2-(3-methylmorpholin-4-yl)ethyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide?
The InChIKey is AIJSUJIGFIWNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O.HI/c1-14-13-22-12-11-20(14)10-8-19-17(18-2)21-9-7-15-5-3-4-6-16(15)21;/h3-6,14H,7-13H2,1-2H3,(H,18,19);1H.
What are the key properties of N'-methyl-N-[2-(3-methylmorpholin-4-yl)ethyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide?
N'-methyl-N-[2-(3-methylmorpholin-4-yl)ethyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide has a molecular weight of 430.33 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[2-(3-methylmorpholin-4-yl)ethyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide is sourced from PubChem (CID 119116501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).