1-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-nitrobenzene-1,2-diamine

C14H25N3O3Si — CID 168827188

IUPAC1-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-nitrobenzene-1,2-diamine
SMILESCC(C)(C)[Si](C)(C)OCCNc1ccc([N+](=O)[O-])cc1N
InChIInChI=1S/C14H25N3O3Si/c1-14(2,3)21(4,5)20-9-8-16-13-7-6-11(17(18)19)10-12(13)15/h6-7,10,16H,8-9,15H2,1-5H3
InChIKeyGZQCDATWALWMCO-UHFFFAOYSA-N
MW311.46 g/mol
LogP3.61
Rot. Bonds6

About 1-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-nitrobenzene-1,2-diamine

1-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-nitrobenzene-1,2-diamine (PubChem CID 168827188) has the molecular formula C14H25N3O3Si and a molecular weight of 311.46 g/mol. Its IUPAC name is 1-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-nitrobenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-nitrobenzene-1,2-diamine
PubChem CID168827188
Molecular FormulaC14H25N3O3Si
Molecular Weight311.46 g/mol
Exact Mass311.17
IUPAC Name1-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-nitrobenzene-1,2-diamine
SMILESCC(C)(C)[Si](C)(C)OCCNc1ccc([N+](=O)[O-])cc1N
InChIInChI=1S/C14H25N3O3Si/c1-14(2,3)21(4,5)20-9-8-16-13-7-6-11(17(18)19)10-12(13)15/h6-7,10,16H,8-9,15H2,1-5H3
InChIKeyGZQCDATWALWMCO-UHFFFAOYSA-N
XLogP3.61
TPSA90.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.46
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'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

1-N-butyl-4-nitrobenzene-1,2-diamine
CID 15327518
1-N-(4-methylpentyl)-4-nitrobenzene-1,2-diamine
CID 63003028
1-N-(cyclobutylmethyl)-4-nitrobenzene-1,2-diamine
CID 62507452
tert-butyl-dimethyl-[4-(4-nitrophenyl)but-3-ynoxy]silane
CID 134112604
1-N-[2-(4-fluorophenyl)ethyl]-4-nitrobenzene-1,2-diamine
CID 62507280
1-N-[2-(5-bromothiophen-2-yl)ethyl]-4-nitrobenzene-1,2-diamine
CID 106037277
4-[2-(2-amino-4-nitroanilino)ethyl]benzoic acid
CID 174287450
1-N-[2-(3-methylphenyl)ethyl]-4-nitrobenzene-1,2-diamine
CID 62506976
tert-butyl-dimethyl-[2-methyl-2-(4-nitrophenyl)propoxy]silane
CID 58994475
4-nitro-1-N-(1,2-oxazol-3-ylmethyl)benzene-1,2-diamine
CID 81170399
(5S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 124735581
2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-nitrobenzaldehyde
CID 58342218

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-nitrobenzene-1,2-diamine?
The IUPAC name of 1-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-nitrobenzene-1,2-diamine (CID 168827188) is 1-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-nitrobenzene-1,2-diamine.
What is the SMILES notation for 1-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-nitrobenzene-1,2-diamine?
The canonical SMILES for 1-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-nitrobenzene-1,2-diamine is CC(C)(C)[Si](C)(C)OCCNc1ccc([N+](=O)[O-])cc1N.
What is the InChIKey of 1-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-nitrobenzene-1,2-diamine?
The InChIKey is GZQCDATWALWMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3Si/c1-14(2,3)21(4,5)20-9-8-16-13-7-6-11(17(18)19)10-12(13)15/h6-7,10,16H,8-9,15H2,1-5H3.
What are the key properties of 1-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-nitrobenzene-1,2-diamine?
1-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-nitrobenzene-1,2-diamine has a molecular weight of 311.46 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-nitrobenzene-1,2-diamine is sourced from PubChem (CID 168827188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).