3-hydrazinyl-N,N-bis(2-methoxyethyl)-5-nitroaniline

C12H20N4O4 — CID 80895595

IUPAC3-hydrazinyl-N,N-bis(2-methoxyethyl)-5-nitroaniline
SMILESCOCCN(CCOC)c1cc(NN)cc([N+](=O)[O-])c1
InChIInChI=1S/C12H20N4O4/c1-19-5-3-15(4-6-20-2)11-7-10(14-13)8-12(9-11)16(17)18/h7-9,14H,3-6,13H2,1-2H3
InChIKeyLPAVCXWGEANCQF-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.98
Rot. Bonds9

About 3-hydrazinyl-N,N-bis(2-methoxyethyl)-5-nitroaniline

3-hydrazinyl-N,N-bis(2-methoxyethyl)-5-nitroaniline (PubChem CID 80895595) has the molecular formula C12H20N4O4 and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-hydrazinyl-N,N-bis(2-methoxyethyl)-5-nitroaniline.

Molecular Properties

Compound Name3-hydrazinyl-N,N-bis(2-methoxyethyl)-5-nitroaniline
PubChem CID80895595
Molecular FormulaC12H20N4O4
Molecular Weight284.32 g/mol
Exact Mass284.15
IUPAC Name3-hydrazinyl-N,N-bis(2-methoxyethyl)-5-nitroaniline
SMILESCOCCN(CCOC)c1cc(NN)cc([N+](=O)[O-])c1
InChIInChI=1S/C12H20N4O4/c1-19-5-3-15(4-6-20-2)11-7-10(14-13)8-12(9-11)16(17)18/h7-9,14H,3-6,13H2,1-2H3
InChIKeyLPAVCXWGEANCQF-UHFFFAOYSA-N
XLogP0.98
TPSA102.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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

3-hydrazinyl-N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-nitroaniline
CID 80899821
N'-(3-hydrazinyl-5-nitrophenyl)-N,N,N'-trimethylpropane-1,3-diamine
CID 80909909
2-(N-ethyl-3-hydrazinyl-5-nitroanilino)-N-methylacetamide
CID 80896043
N-butan-2-yl-3-hydrazinyl-N-methyl-5-nitroaniline
CID 80894806
3-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-5-nitroaniline
CID 80905083
N-ethyl-3-hydrazinyl-5-nitro-N-phenylaniline
CID 80917523
3-hydrazinyl-N-methyl-5-nitro-N-(2-phenylethyl)aniline
CID 80924169
3-N,3-N-bis(2-ethoxyethyl)-5-nitrobenzene-1,3-diamine
CID 82943266
N-(cyclopentylmethyl)-3-hydrazinyl-N-methyl-5-nitroaniline
CID 80910026
N-[2-(3-hydrazinyl-5-nitrophenoxy)ethyl]-N-propan-2-ylpropan-2-amine
CID 115506037
3-(3-hydrazinyl-N-methyl-5-nitroanilino)butanenitrile
CID 80914174
N-cyclohexyl-N-ethyl-3-hydrazinyl-5-nitroaniline
CID 80928455

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-N,N-bis(2-methoxyethyl)-5-nitroaniline?
The IUPAC name of 3-hydrazinyl-N,N-bis(2-methoxyethyl)-5-nitroaniline (CID 80895595) is 3-hydrazinyl-N,N-bis(2-methoxyethyl)-5-nitroaniline.
What is the SMILES notation for 3-hydrazinyl-N,N-bis(2-methoxyethyl)-5-nitroaniline?
The canonical SMILES for 3-hydrazinyl-N,N-bis(2-methoxyethyl)-5-nitroaniline is COCCN(CCOC)c1cc(NN)cc([N+](=O)[O-])c1.
What is the InChIKey of 3-hydrazinyl-N,N-bis(2-methoxyethyl)-5-nitroaniline?
The InChIKey is LPAVCXWGEANCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4/c1-19-5-3-15(4-6-20-2)11-7-10(14-13)8-12(9-11)16(17)18/h7-9,14H,3-6,13H2,1-2H3.
What are the key properties of 3-hydrazinyl-N,N-bis(2-methoxyethyl)-5-nitroaniline?
3-hydrazinyl-N,N-bis(2-methoxyethyl)-5-nitroaniline has a molecular weight of 284.32 g/mol, XLogP of 0.98, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-N,N-bis(2-methoxyethyl)-5-nitroaniline is sourced from PubChem (CID 80895595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).