2-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]-N,N-dimethylacetamide;hydroiodide

C14H21IN4O — CID 119116485

IUPAC2-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
SMILESC/N=C(\NCC(=O)N(C)C)N1CCc2ccccc21.I
InChIInChI=1S/C14H20N4O.HI/c1-15-14(16-10-13(19)17(2)3)18-9-8-11-6-4-5-7-12(11)18;/h4-7H,8-10H2,1-3H3,(H,15,16);1H
InChIKeyGWNYBWSBUYHHHO-UHFFFAOYSA-N
MW388.25 g/mol
LogP1.33
Rot. Bonds2

About 2-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]-N,N-dimethylacetamide;hydroiodide

2-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]-N,N-dimethylacetamide;hydroiodide (PubChem CID 119116485) has the molecular formula C14H21IN4O and a molecular weight of 388.25 g/mol. Its IUPAC name is 2-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]-N,N-dimethylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
PubChem CID119116485
Molecular FormulaC14H21IN4O
Molecular Weight388.25 g/mol
Exact Mass388.08
IUPAC Name2-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
SMILESC/N=C(\NCC(=O)N(C)C)N1CCc2ccccc21.I
InChIInChI=1S/C14H20N4O.HI/c1-15-14(16-10-13(19)17(2)3)18-9-8-11-6-4-5-7-12(11)18;/h4-7H,8-10H2,1-3H3,(H,15,16);1H
InChIKeyGWNYBWSBUYHHHO-UHFFFAOYSA-N
XLogP1.33
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.25
LogP ≤ 51.33
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-[2-(diethylamino)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984243
N-cyclohexyl-2-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]acetamide
CID 110984132
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-(2-piperidin-1-ylethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984997
N-[2-[di(propan-2-yl)amino]ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 110984324
4-[[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]methyl]-N-ethylbenzamide
CID 110983330
methyl 5-[[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]methyl]-2-methylfuran-3-carboxylate;hydroiodide
CID 110984907
N-(furan-3-ylmethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 119116402
N-(furan-2-ylmethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 110984232
methyl 5-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]pentanoate
CID 110983814
2-[[(cyclopropylamino)-(2,3-dihydroindol-1-yl)methylidene]amino]-N,N-dimethylacetamide
CID 119116488

Frequently Asked Questions

What is the IUPAC name of 2-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]-N,N-dimethylacetamide;hydroiodide?
The IUPAC name of 2-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]-N,N-dimethylacetamide;hydroiodide (CID 119116485) is 2-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]-N,N-dimethylacetamide;hydroiodide.
What is the SMILES notation for 2-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]-N,N-dimethylacetamide;hydroiodide?
The canonical SMILES for 2-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]-N,N-dimethylacetamide;hydroiodide is C/N=C(\NCC(=O)N(C)C)N1CCc2ccccc21.I.
What is the InChIKey of 2-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]-N,N-dimethylacetamide;hydroiodide?
The InChIKey is GWNYBWSBUYHHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O.HI/c1-15-14(16-10-13(19)17(2)3)18-9-8-11-6-4-5-7-12(11)18;/h4-7H,8-10H2,1-3H3,(H,15,16);1H.
What are the key properties of 2-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]-N,N-dimethylacetamide;hydroiodide?
2-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]-N,N-dimethylacetamide;hydroiodide has a molecular weight of 388.25 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]-N,N-dimethylacetamide;hydroiodide is sourced from PubChem (CID 119116485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).