N-amino-N-methylformamide;2-[[1-(2,3-dihydro-1H-inden-5-yl)ethylideneamino]oxymethyl]-N-methyl-3-(trifluoromethyl)aniline

C22H27F3N4O2 — CID 144635562

IUPACN-amino-N-methylformamide;2-[[1-(2,3-dihydro-1H-inden-5-yl)ethylideneamino]oxymethyl]-N-methyl-3-(trifluoromethyl)aniline
SMILESCN(N)C=O.CNc1cccc(C(F)(F)F)c1CON=C(C)c1ccc2c(c1)CCC2
InChIInChI=1S/C20H21F3N2O.C2H6N2O/c1-13(15-10-9-14-5-3-6-16(14)11-15)25-26-12-17-18(20(21,22)23)7-4-8-19(17)24-2;1-4(3)2-5/h4,7-11,24H,3,5-6,12H2,1-2H3;2H,3H2,1H3
InChIKeyQCVPYHICDLQUJG-UHFFFAOYSA-N
MW436.48 g/mol
LogP4.12
Rot. Bonds6

About N-amino-N-methylformamide;2-[[1-(2,3-dihydro-1H-inden-5-yl)ethylideneamino]oxymethyl]-N-methyl-3-(trifluoromethyl)aniline

N-amino-N-methylformamide;2-[[1-(2,3-dihydro-1H-inden-5-yl)ethylideneamino]oxymethyl]-N-methyl-3-(trifluoromethyl)aniline (PubChem CID 144635562) has the molecular formula C22H27F3N4O2 and a molecular weight of 436.48 g/mol. Its IUPAC name is N-amino-N-methylformamide;2-[[1-(2,3-dihydro-1H-inden-5-yl)ethylideneamino]oxymethyl]-N-methyl-3-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-amino-N-methylformamide;2-[[1-(2,3-dihydro-1H-inden-5-yl)ethylideneamino]oxymethyl]-N-methyl-3-(trifluoromethyl)aniline
PubChem CID144635562
Molecular FormulaC22H27F3N4O2
Molecular Weight436.48 g/mol
Exact Mass436.21
IUPAC NameN-amino-N-methylformamide;2-[[1-(2,3-dihydro-1H-inden-5-yl)ethylideneamino]oxymethyl]-N-methyl-3-(trifluoromethyl)aniline
SMILESCN(N)C=O.CNc1cccc(C(F)(F)F)c1CON=C(C)c1ccc2c(c1)CCC2
InChIInChI=1S/C20H21F3N2O.C2H6N2O/c1-13(15-10-9-14-5-3-6-16(14)11-15)25-26-12-17-18(20(21,22)23)7-4-8-19(17)24-2;1-4(3)2-5/h4,7-11,24H,3,5-6,12H2,1-2H3;2H,3H2,1H3
InChIKeyQCVPYHICDLQUJG-UHFFFAOYSA-N
XLogP4.12
TPSA79.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.48
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-amino-N-methylformamide;2-[[1-(2,3-dihydro-1H-inden-5-yl)ethylideneamino]oxymethyl]-N-methyl-3-(trifluoromethyl)aniline?
The IUPAC name of N-amino-N-methylformamide;2-[[1-(2,3-dihydro-1H-inden-5-yl)ethylideneamino]oxymethyl]-N-methyl-3-(trifluoromethyl)aniline (CID 144635562) is N-amino-N-methylformamide;2-[[1-(2,3-dihydro-1H-inden-5-yl)ethylideneamino]oxymethyl]-N-methyl-3-(trifluoromethyl)aniline.
What is the SMILES notation for N-amino-N-methylformamide;2-[[1-(2,3-dihydro-1H-inden-5-yl)ethylideneamino]oxymethyl]-N-methyl-3-(trifluoromethyl)aniline?
The canonical SMILES for N-amino-N-methylformamide;2-[[1-(2,3-dihydro-1H-inden-5-yl)ethylideneamino]oxymethyl]-N-methyl-3-(trifluoromethyl)aniline is CN(N)C=O.CNc1cccc(C(F)(F)F)c1CON=C(C)c1ccc2c(c1)CCC2.
What is the InChIKey of N-amino-N-methylformamide;2-[[1-(2,3-dihydro-1H-inden-5-yl)ethylideneamino]oxymethyl]-N-methyl-3-(trifluoromethyl)aniline?
The InChIKey is QCVPYHICDLQUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O.C2H6N2O/c1-13(15-10-9-14-5-3-6-16(14)11-15)25-26-12-17-18(20(21,22)23)7-4-8-19(17)24-2;1-4(3)2-5/h4,7-11,24H,3,5-6,12H2,1-2H3;2H,3H2,1H3.
What are the key properties of N-amino-N-methylformamide;2-[[1-(2,3-dihydro-1H-inden-5-yl)ethylideneamino]oxymethyl]-N-methyl-3-(trifluoromethyl)aniline?
N-amino-N-methylformamide;2-[[1-(2,3-dihydro-1H-inden-5-yl)ethylideneamino]oxymethyl]-N-methyl-3-(trifluoromethyl)aniline has a molecular weight of 436.48 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N-methylformamide;2-[[1-(2,3-dihydro-1H-inden-5-yl)ethylideneamino]oxymethyl]-N-methyl-3-(trifluoromethyl)aniline is sourced from PubChem (CID 144635562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).