2-[[(cyclopropylamino)-(2,3-dihydroindol-1-yl)methylidene]amino]-N,N-dimethylacetamide

C16H22N4O — CID 119116488

IUPAC2-[[(cyclopropylamino)-(2,3-dihydroindol-1-yl)methylidene]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C/N=C(\NC1CC1)N1CCc2ccccc21
InChIInChI=1S/C16H22N4O/c1-19(2)15(21)11-17-16(18-13-7-8-13)20-10-9-12-5-3-4-6-14(12)20/h3-6,13H,7-11H2,1-2H3,(H,17,18)
InChIKeyXFHANQDGJNOHPJ-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.25
Rot. Bonds3

About 2-[[(cyclopropylamino)-(2,3-dihydroindol-1-yl)methylidene]amino]-N,N-dimethylacetamide

2-[[(cyclopropylamino)-(2,3-dihydroindol-1-yl)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 119116488) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[[(cyclopropylamino)-(2,3-dihydroindol-1-yl)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(cyclopropylamino)-(2,3-dihydroindol-1-yl)methylidene]amino]-N,N-dimethylacetamide
PubChem CID119116488
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-[[(cyclopropylamino)-(2,3-dihydroindol-1-yl)methylidene]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C/N=C(\NC1CC1)N1CCc2ccccc21
InChIInChI=1S/C16H22N4O/c1-19(2)15(21)11-17-16(18-13-7-8-13)20-10-9-12-5-3-4-6-14(12)20/h3-6,13H,7-11H2,1-2H3,(H,17,18)
InChIKeyXFHANQDGJNOHPJ-UHFFFAOYSA-N
XLogP1.25
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.25
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-cyclopropyl-2-[[2,3-dihydroindol-1-yl(ethylamino)methylidene]amino]acetamide
CID 110984904
2-[[2,3-dihydroindol-1-yl-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111548686
2-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 119116485
2-[[(cyclopropylamino)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methylidene]amino]-N,N-dimethylacetamide
CID 119131326
N-cyclopropyl-2-[[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide
CID 9053395
2-[[(cyclopentylamino)-[4-(2-methoxyphenyl)piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide
CID 110037277
N'-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-2,3-dihydroindole-1-carboximidamide
CID 110983800
2-[[(cyclopropylamino)-(4-pyridin-2-ylpiperazin-1-yl)methylidene]amino]-N,N-dimethylacetamide
CID 119130990
2-[bis[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-N-cyclopropylacetamide
CID 78862673
N-cyclohexyl-2-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]acetamide
CID 110984132
N-cyclopentyl-3-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]propanamide
CID 110983412
2-(cyclopropylamino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 60648595

Frequently Asked Questions

What is the IUPAC name of 2-[[(cyclopropylamino)-(2,3-dihydroindol-1-yl)methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(cyclopropylamino)-(2,3-dihydroindol-1-yl)methylidene]amino]-N,N-dimethylacetamide (CID 119116488) is 2-[[(cyclopropylamino)-(2,3-dihydroindol-1-yl)methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(cyclopropylamino)-(2,3-dihydroindol-1-yl)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(cyclopropylamino)-(2,3-dihydroindol-1-yl)methylidene]amino]-N,N-dimethylacetamide is CN(C)C(=O)C/N=C(\NC1CC1)N1CCc2ccccc21.
What is the InChIKey of 2-[[(cyclopropylamino)-(2,3-dihydroindol-1-yl)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is XFHANQDGJNOHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-19(2)15(21)11-17-16(18-13-7-8-13)20-10-9-12-5-3-4-6-14(12)20/h3-6,13H,7-11H2,1-2H3,(H,17,18).
What are the key properties of 2-[[(cyclopropylamino)-(2,3-dihydroindol-1-yl)methylidene]amino]-N,N-dimethylacetamide?
2-[[(cyclopropylamino)-(2,3-dihydroindol-1-yl)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 286.38 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(cyclopropylamino)-(2,3-dihydroindol-1-yl)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 119116488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).