3-hydrazinyl-N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-nitroaniline

C13H22N4O4 — CID 80899821

IUPAC3-hydrazinyl-N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-nitroaniline
SMILESCOCCCN(CCOC)c1cc(NN)cc([N+](=O)[O-])c1
InChIInChI=1S/C13H22N4O4/c1-20-6-3-4-16(5-7-21-2)12-8-11(15-14)9-13(10-12)17(18)19/h8-10,15H,3-7,14H2,1-2H3
InChIKeyPYEIXDFXTVIKLU-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.37
Rot. Bonds10

About 3-hydrazinyl-N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-nitroaniline

3-hydrazinyl-N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-nitroaniline (PubChem CID 80899821) has the molecular formula C13H22N4O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is 3-hydrazinyl-N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-nitroaniline.

Molecular Properties

Compound Name3-hydrazinyl-N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-nitroaniline
PubChem CID80899821
Molecular FormulaC13H22N4O4
Molecular Weight298.34 g/mol
Exact Mass298.16
IUPAC Name3-hydrazinyl-N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-nitroaniline
SMILESCOCCCN(CCOC)c1cc(NN)cc([N+](=O)[O-])c1
InChIInChI=1S/C13H22N4O4/c1-20-6-3-4-16(5-7-21-2)12-8-11(15-14)9-13(10-12)17(18)19/h8-10,15H,3-7,14H2,1-2H3
InChIKeyPYEIXDFXTVIKLU-UHFFFAOYSA-N
XLogP1.37
TPSA102.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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,N-bis(2-methoxyethyl)-5-nitroaniline
CID 80895595
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-fluoro-N-(3-methoxypropyl)-N-methyl-5-nitroaniline
CID 80752841
N-ethyl-3-hydrazinyl-5-nitro-N-phenylaniline
CID 80917523
3-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-5-nitroaniline
CID 80905083
3-hydrazinyl-N-methyl-5-nitro-N-(2-phenylethyl)aniline
CID 80924169
5-hydrazinyl-N-(3-methoxypropyl)-N-methyl-2-nitrobenzamide
CID 63007889
3-N,3-N-bis(2-ethoxyethyl)-5-nitrobenzene-1,3-diamine
CID 82943266
2-[N-butyl-3-(methylamino)-5-nitroanilino]acetamide
CID 80821108
N-[2-(3-hydrazinyl-5-nitrophenoxy)ethyl]-N-propan-2-ylpropan-2-amine
CID 115506037

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-nitroaniline?
The IUPAC name of 3-hydrazinyl-N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-nitroaniline (CID 80899821) is 3-hydrazinyl-N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-nitroaniline.
What is the SMILES notation for 3-hydrazinyl-N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-nitroaniline?
The canonical SMILES for 3-hydrazinyl-N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-nitroaniline is COCCCN(CCOC)c1cc(NN)cc([N+](=O)[O-])c1.
What is the InChIKey of 3-hydrazinyl-N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-nitroaniline?
The InChIKey is PYEIXDFXTVIKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O4/c1-20-6-3-4-16(5-7-21-2)12-8-11(15-14)9-13(10-12)17(18)19/h8-10,15H,3-7,14H2,1-2H3.
What are the key properties of 3-hydrazinyl-N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-nitroaniline?
3-hydrazinyl-N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-nitroaniline has a molecular weight of 298.34 g/mol, XLogP of 1.37, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-nitroaniline is sourced from PubChem (CID 80899821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).