2,4-dinitro-N-(1-triethoxysilylpropan-2-yl)aniline

C15H25N3O7Si — CID 88923083

IUPAC2,4-dinitro-N-(1-triethoxysilylpropan-2-yl)aniline
SMILESCCO[Si](CC(C)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])(OCC)OCC
InChIInChI=1S/C15H25N3O7Si/c1-5-23-26(24-6-2,25-7-3)11-12(4)16-14-9-8-13(17(19)20)10-15(14)18(21)22/h8-10,12,16H,5-7,11H2,1-4H3
InChIKeyPPJRCOSBWMHHPU-UHFFFAOYSA-N
MW387.47 g/mol
LogP3.35
Rot. Bonds12

About 2,4-dinitro-N-(1-triethoxysilylpropan-2-yl)aniline

2,4-dinitro-N-(1-triethoxysilylpropan-2-yl)aniline (PubChem CID 88923083) has the molecular formula C15H25N3O7Si and a molecular weight of 387.47 g/mol. Its IUPAC name is 2,4-dinitro-N-(1-triethoxysilylpropan-2-yl)aniline.

Molecular Properties

Compound Name2,4-dinitro-N-(1-triethoxysilylpropan-2-yl)aniline
PubChem CID88923083
Molecular FormulaC15H25N3O7Si
Molecular Weight387.47 g/mol
Exact Mass387.15
IUPAC Name2,4-dinitro-N-(1-triethoxysilylpropan-2-yl)aniline
SMILESCCO[Si](CC(C)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])(OCC)OCC
InChIInChI=1S/C15H25N3O7Si/c1-5-23-26(24-6-2,25-7-3)11-12(4)16-14-9-8-13(17(19)20)10-15(14)18(21)22/h8-10,12,16H,5-7,11H2,1-4H3
InChIKeyPPJRCOSBWMHHPU-UHFFFAOYSA-N
XLogP3.35
TPSA126.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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

2-N-(2,4-dinitrophenyl)propane-1,2-diamine
CID 63733385
(2,4-dinitrophenyl)methyl-triethoxysilane
CID 57070955
N-(3,3-dimethylbutan-2-yl)-2,4-dinitroaniline
CID 115685841
N-hexan-3-yl-2,4-dinitroaniline
CID 62045431
3-(2,4-dinitroanilino)-4-methylpentan-1-ol
CID 103696574
N-(5-aminopentan-2-yloxy-ethoxy-propylsilyl)-2,4-dinitroaniline
CID 87429090
methyl (2S)-2-(2,4-dinitroanilino)-3-methylbutanoate
CID 22295077
(2,4-dinitroanilino) 2-methylpropanoate
CID 19598617
N-[1-(3,4-difluorophenyl)ethyl]-2,4-dinitroaniline
CID 84929910
N-butan-2-yl-4-chloro-2-nitroaniline
CID 43080388
N-hexan-2-yl-2-methyl-4-nitroaniline
CID 43785860
2-(2,4-dinitroanilino)-3-methylbutanamide
CID 103801571

Frequently Asked Questions

What is the IUPAC name of 2,4-dinitro-N-(1-triethoxysilylpropan-2-yl)aniline?
The IUPAC name of 2,4-dinitro-N-(1-triethoxysilylpropan-2-yl)aniline (CID 88923083) is 2,4-dinitro-N-(1-triethoxysilylpropan-2-yl)aniline.
What is the SMILES notation for 2,4-dinitro-N-(1-triethoxysilylpropan-2-yl)aniline?
The canonical SMILES for 2,4-dinitro-N-(1-triethoxysilylpropan-2-yl)aniline is CCO[Si](CC(C)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])(OCC)OCC.
What is the InChIKey of 2,4-dinitro-N-(1-triethoxysilylpropan-2-yl)aniline?
The InChIKey is PPJRCOSBWMHHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O7Si/c1-5-23-26(24-6-2,25-7-3)11-12(4)16-14-9-8-13(17(19)20)10-15(14)18(21)22/h8-10,12,16H,5-7,11H2,1-4H3.
What are the key properties of 2,4-dinitro-N-(1-triethoxysilylpropan-2-yl)aniline?
2,4-dinitro-N-(1-triethoxysilylpropan-2-yl)aniline has a molecular weight of 387.47 g/mol, XLogP of 3.35, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dinitro-N-(1-triethoxysilylpropan-2-yl)aniline is sourced from PubChem (CID 88923083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).