2-ethoxy-N-ethyl-N-[(4-hydrazinyl-3-nitrophenyl)methyl]ethanamine

C13H22N4O3 — CID 63690351

IUPAC2-ethoxy-N-ethyl-N-[(4-hydrazinyl-3-nitrophenyl)methyl]ethanamine
SMILESCCOCCN(CC)Cc1ccc(NN)c([N+](=O)[O-])c1
InChIInChI=1S/C13H22N4O3/c1-3-16(7-8-20-4-2)10-11-5-6-12(15-14)13(9-11)17(18)19/h5-6,9,15H,3-4,7-8,10,14H2,1-2H3
InChIKeyZETLVKVHFOPDLK-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.74
Rot. Bonds9

About 2-ethoxy-N-ethyl-N-[(4-hydrazinyl-3-nitrophenyl)methyl]ethanamine

2-ethoxy-N-ethyl-N-[(4-hydrazinyl-3-nitrophenyl)methyl]ethanamine (PubChem CID 63690351) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-ethoxy-N-ethyl-N-[(4-hydrazinyl-3-nitrophenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-ethoxy-N-ethyl-N-[(4-hydrazinyl-3-nitrophenyl)methyl]ethanamine
PubChem CID63690351
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name2-ethoxy-N-ethyl-N-[(4-hydrazinyl-3-nitrophenyl)methyl]ethanamine
SMILESCCOCCN(CC)Cc1ccc(NN)c([N+](=O)[O-])c1
InChIInChI=1S/C13H22N4O3/c1-3-16(7-8-20-4-2)10-11-5-6-12(15-14)13(9-11)17(18)19/h5-6,9,15H,3-4,7-8,10,14H2,1-2H3
InChIKeyZETLVKVHFOPDLK-UHFFFAOYSA-N
XLogP1.74
TPSA93.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N-[(4-hydrazinyl-3-nitrophenyl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 62244966
N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-propylpropan-1-amine
CID 55051188
N-ethyl-4-[[ethyl(2-methoxyethyl)amino]methyl]-2-nitroaniline
CID 62209632
N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 62247011
4-[[ethyl(propyl)amino]methyl]-N-methyl-2-nitroaniline
CID 62182905
4-[[butyl(ethyl)amino]methyl]-N-methyl-2-nitroaniline
CID 62181996
3-[ethyl-[(3-hydrazinyl-4-nitrophenyl)methyl]amino]propan-1-ol
CID 113469010
2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethyl-4-nitroaniline
CID 63691754
[4-(hexoxymethyl)-2-nitrophenyl]hydrazine
CID 62245077
2-ethoxy-N-ethyl-N-[(2-hydrazinyl-4-pyridinyl)methyl]ethanamine
CID 63690883
N-[(4-hydrazinyl-3-nitrophenyl)methyl]-2-methoxy-N-methylpropan-1-amine
CID 112754591
[4-(3,3-dimethylbutoxymethyl)-2-nitrophenyl]hydrazine
CID 66225464

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-ethyl-N-[(4-hydrazinyl-3-nitrophenyl)methyl]ethanamine?
The IUPAC name of 2-ethoxy-N-ethyl-N-[(4-hydrazinyl-3-nitrophenyl)methyl]ethanamine (CID 63690351) is 2-ethoxy-N-ethyl-N-[(4-hydrazinyl-3-nitrophenyl)methyl]ethanamine.
What is the SMILES notation for 2-ethoxy-N-ethyl-N-[(4-hydrazinyl-3-nitrophenyl)methyl]ethanamine?
The canonical SMILES for 2-ethoxy-N-ethyl-N-[(4-hydrazinyl-3-nitrophenyl)methyl]ethanamine is CCOCCN(CC)Cc1ccc(NN)c([N+](=O)[O-])c1.
What is the InChIKey of 2-ethoxy-N-ethyl-N-[(4-hydrazinyl-3-nitrophenyl)methyl]ethanamine?
The InChIKey is ZETLVKVHFOPDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-3-16(7-8-20-4-2)10-11-5-6-12(15-14)13(9-11)17(18)19/h5-6,9,15H,3-4,7-8,10,14H2,1-2H3.
What are the key properties of 2-ethoxy-N-ethyl-N-[(4-hydrazinyl-3-nitrophenyl)methyl]ethanamine?
2-ethoxy-N-ethyl-N-[(4-hydrazinyl-3-nitrophenyl)methyl]ethanamine has a molecular weight of 282.34 g/mol, XLogP of 1.74, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-ethyl-N-[(4-hydrazinyl-3-nitrophenyl)methyl]ethanamine is sourced from PubChem (CID 63690351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).