N-(furan-3-ylmethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide

C15H17N3O — CID 119116402

IUPACN-(furan-3-ylmethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide
SMILESC/N=C(\NCc1ccoc1)N1CCc2ccccc21
InChIInChI=1S/C15H17N3O/c1-16-15(17-10-12-7-9-19-11-12)18-8-6-13-4-2-3-5-14(13)18/h2-5,7,9,11H,6,8,10H2,1H3,(H,16,17)
InChIKeyJVKMCAYANUCXPR-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.42
Rot. Bonds2

About N-(furan-3-ylmethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide

N-(furan-3-ylmethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide (PubChem CID 119116402) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide
PubChem CID119116402
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-(furan-3-ylmethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide
SMILESC/N=C(\NCc1ccoc1)N1CCc2ccccc21
InChIInChI=1S/C15H17N3O/c1-16-15(17-10-12-7-9-19-11-12)18-8-6-13-4-2-3-5-14(13)18/h2-5,7,9,11H,6,8,10H2,1H3,(H,16,17)
InChIKeyJVKMCAYANUCXPR-UHFFFAOYSA-N
XLogP2.42
TPSA40.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.42
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'}

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Related Compounds

N-(furan-2-ylmethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 110984232
N'-methyl-N-(thiophen-3-ylmethyl)-2,3-dihydroindole-1-carboximidamide
CID 110983456
N-[(3,4-dimethoxyphenyl)methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 110984294
4-[[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]methyl]-N-ethylbenzamide
CID 110983330
N'-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2,3-dihydroindole-1-carboximidamide
CID 110983986
N-[[4-(methanesulfonamido)phenyl]methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 119116385
N'-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984645
N'-methyl-N-pentyl-2,3-dihydroindole-1-carboximidamide
CID 110984242
N-[3-[[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]methyl]phenyl]acetamide;hydroiodide
CID 110984827
N'-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide
CID 110984418
N'-methyl-N-[(6-methyl-2-pyridinyl)methyl]-2,3-dihydroindole-1-carboximidamide
CID 110983974
N'-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2,3-dihydroindole-1-carboximidamide
CID 110985120

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide?
The IUPAC name of N-(furan-3-ylmethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide (CID 119116402) is N-(furan-3-ylmethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide.
What is the SMILES notation for N-(furan-3-ylmethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide?
The canonical SMILES for N-(furan-3-ylmethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide is C/N=C(\NCc1ccoc1)N1CCc2ccccc21.
What is the InChIKey of N-(furan-3-ylmethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide?
The InChIKey is JVKMCAYANUCXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-16-15(17-10-12-7-9-19-11-12)18-8-6-13-4-2-3-5-14(13)18/h2-5,7,9,11H,6,8,10H2,1H3,(H,16,17).
What are the key properties of N-(furan-3-ylmethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide?
N-(furan-3-ylmethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide has a molecular weight of 255.32 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide is sourced from PubChem (CID 119116402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).