N-[[tert-butyl(dimethyl)silyl]methylideneamino]-2,4-dinitroaniline

C13H20N4O4Si — CID 4556942

IUPACN-[[tert-butyl(dimethyl)silyl]methylideneamino]-2,4-dinitroaniline
SMILESCC(C)(C)[Si](C)(C)C=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C13H20N4O4Si/c1-13(2,3)22(4,5)9-14-15-11-7-6-10(16(18)19)8-12(11)17(20)21/h6-9,15H,1-5H3
InChIKeyMRLFUTDGDCIQEB-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.95
Rot. Bonds5

About N-[[tert-butyl(dimethyl)silyl]methylideneamino]-2,4-dinitroaniline

N-[[tert-butyl(dimethyl)silyl]methylideneamino]-2,4-dinitroaniline (PubChem CID 4556942) has the molecular formula C13H20N4O4Si and a molecular weight of 324.41 g/mol. Its IUPAC name is N-[[tert-butyl(dimethyl)silyl]methylideneamino]-2,4-dinitroaniline.

Molecular Properties

Compound NameN-[[tert-butyl(dimethyl)silyl]methylideneamino]-2,4-dinitroaniline
PubChem CID4556942
Molecular FormulaC13H20N4O4Si
Molecular Weight324.41 g/mol
Exact Mass324.13
IUPAC NameN-[[tert-butyl(dimethyl)silyl]methylideneamino]-2,4-dinitroaniline
SMILESCC(C)(C)[Si](C)(C)C=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C13H20N4O4Si/c1-13(2,3)22(4,5)9-14-15-11-7-6-10(16(18)19)8-12(11)17(20)21/h6-9,15H,1-5H3
InChIKeyMRLFUTDGDCIQEB-UHFFFAOYSA-N
XLogP3.95
TPSA110.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(2-chloro-2-methylpropylidene)amino]-2,4-dinitroaniline
CID 22764781
N-[[4-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2,3,5,6-tetramethylphenyl]methylideneamino]-2,4-dinitroaniline
CID 3936149
N-[[2-methyl-2-(4-methylphenyl)propylidene]amino]-2,4-dinitroaniline
CID 165350885
4-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol
CID 135442992
N-[(4-bromophenyl)methylideneamino]-2,4-dinitroaniline
CID 632518
N-(2,4-dinitrophenyl)nitrous amide
CID 54504418
N-[(E)-cyclopropylmethylideneamino]-2,4-dinitroaniline
CID 14950104
2,4-dinitro-N-[[(E)-pent-2-enylidene]amino]aniline
CID 131874424
N-[(E)-[(2S)-2-methylsulfanylpropylidene]amino]-2,4-dinitroaniline
CID 92529730
2,4-dinitro-N-(penta-3,4-dienylideneamino)aniline
CID 131855224
N-[(E)-3-aminopropylideneamino]-2,4-dinitroaniline
CID 22462640
(3E)-3-[(2,4-dinitrophenyl)hydrazinylidene]-2-methylbutan-2-ol
CID 13440229

Frequently Asked Questions

What is the IUPAC name of N-[[tert-butyl(dimethyl)silyl]methylideneamino]-2,4-dinitroaniline?
The IUPAC name of N-[[tert-butyl(dimethyl)silyl]methylideneamino]-2,4-dinitroaniline (CID 4556942) is N-[[tert-butyl(dimethyl)silyl]methylideneamino]-2,4-dinitroaniline.
What is the SMILES notation for N-[[tert-butyl(dimethyl)silyl]methylideneamino]-2,4-dinitroaniline?
The canonical SMILES for N-[[tert-butyl(dimethyl)silyl]methylideneamino]-2,4-dinitroaniline is CC(C)(C)[Si](C)(C)C=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of N-[[tert-butyl(dimethyl)silyl]methylideneamino]-2,4-dinitroaniline?
The InChIKey is MRLFUTDGDCIQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4Si/c1-13(2,3)22(4,5)9-14-15-11-7-6-10(16(18)19)8-12(11)17(20)21/h6-9,15H,1-5H3.
What are the key properties of N-[[tert-butyl(dimethyl)silyl]methylideneamino]-2,4-dinitroaniline?
N-[[tert-butyl(dimethyl)silyl]methylideneamino]-2,4-dinitroaniline has a molecular weight of 324.41 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[tert-butyl(dimethyl)silyl]methylideneamino]-2,4-dinitroaniline is sourced from PubChem (CID 4556942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).