N,N-diethyl-4-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]aniline

C17H20N4O2 — CID 5333673

IUPACN,N-diethyl-4-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]aniline
SMILESCCN(CC)c1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C17H20N4O2/c1-3-20(4-2)16-9-5-14(6-10-16)13-18-19-15-7-11-17(12-8-15)21(22)23/h5-13,19H,3-4H2,1-2H3/b18-13+
InChIKeyVTKKMSURKTWECD-QGOAFFKASA-N
MW312.37 g/mol
LogP3.89
Rot. Bonds7

About N,N-diethyl-4-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]aniline

N,N-diethyl-4-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]aniline (PubChem CID 5333673) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N,N-diethyl-4-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]aniline.

Molecular Properties

Compound NameN,N-diethyl-4-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]aniline
PubChem CID5333673
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN,N-diethyl-4-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]aniline
SMILESCCN(CC)c1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C17H20N4O2/c1-3-20(4-2)16-9-5-14(6-10-16)13-18-19-15-7-11-17(12-8-15)21(22)23/h5-13,19H,3-4H2,1-2H3/b18-13+
InChIKeyVTKKMSURKTWECD-QGOAFFKASA-N
XLogP3.89
TPSA70.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]aniline?
The IUPAC name of N,N-diethyl-4-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]aniline (CID 5333673) is N,N-diethyl-4-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]aniline.
What is the SMILES notation for N,N-diethyl-4-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]aniline?
The canonical SMILES for N,N-diethyl-4-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]aniline is CCN(CC)c1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N,N-diethyl-4-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]aniline?
The InChIKey is VTKKMSURKTWECD-QGOAFFKASA-N. The full InChI is InChI=1S/C17H20N4O2/c1-3-20(4-2)16-9-5-14(6-10-16)13-18-19-15-7-11-17(12-8-15)21(22)23/h5-13,19H,3-4H2,1-2H3/b18-13+.
What are the key properties of N,N-diethyl-4-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]aniline?
N,N-diethyl-4-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]aniline has a molecular weight of 312.37 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]aniline is sourced from PubChem (CID 5333673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).