N,N-dimethyl-4-[(Z)-[(4-methylphenyl)hydrazinylidene]methyl]-2-nitroaniline

C16H18N4O2 — CID 9059583

IUPACN,N-dimethyl-4-[(Z)-[(4-methylphenyl)hydrazinylidene]methyl]-2-nitroaniline
SMILESCc1ccc(N/N=C\c2ccc(N(C)C)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C16H18N4O2/c1-12-4-7-14(8-5-12)18-17-11-13-6-9-15(19(2)3)16(10-13)20(21)22/h4-11,18H,1-3H3/b17-11-
InChIKeyZHRQRHBXWBBLKX-BOPFTXTBSA-N
MW298.35 g/mol
LogP3.42
Rot. Bonds5

About N,N-dimethyl-4-[(Z)-[(4-methylphenyl)hydrazinylidene]methyl]-2-nitroaniline

N,N-dimethyl-4-[(Z)-[(4-methylphenyl)hydrazinylidene]methyl]-2-nitroaniline (PubChem CID 9059583) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N,N-dimethyl-4-[(Z)-[(4-methylphenyl)hydrazinylidene]methyl]-2-nitroaniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[(Z)-[(4-methylphenyl)hydrazinylidene]methyl]-2-nitroaniline
PubChem CID9059583
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC NameN,N-dimethyl-4-[(Z)-[(4-methylphenyl)hydrazinylidene]methyl]-2-nitroaniline
SMILESCc1ccc(N/N=C\c2ccc(N(C)C)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C16H18N4O2/c1-12-4-7-14(8-5-12)18-17-11-13-6-9-15(19(2)3)16(10-13)20(21)22/h4-11,18H,1-3H3/b17-11-
InChIKeyZHRQRHBXWBBLKX-BOPFTXTBSA-N
XLogP3.42
TPSA70.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 53.42
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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Related Compounds

3-[(2Z)-2-[[4-(dimethylamino)-3-nitrophenyl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135785033
4-methyl-N-[(Z)-(4-nitrophenyl)methylideneamino]aniline
CID 5377402
4-tert-butyl-N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]benzamide
CID 9259568
N'-[[4-(dimethylamino)-3-nitrophenyl]methylideneamino]-N-(3,4-dimethylphenyl)propanediamide
CID 3466247
3-methyl-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]aniline
CID 9060472
2,5-dichloro-N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]benzamide
CID 9261042
2-bromo-N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]benzamide
CID 9016525
N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]-3-nitrobenzamide
CID 7635577
N'-[[4-(dimethylamino)-3-nitrophenyl]methylideneamino]-N-(4-fluorophenyl)propanediamide
CID 5222623
4-(4-methylphenyl)sulfonyl-N-[(Z)-(4-nitrophenyl)methylideneamino]aniline
CID 9461260
2-(4-chlorophenoxy)-N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]acetamide
CID 9257149
2-[[4-(dimethylamino)-3-nitrophenyl]methylidene]propanedinitrile
CID 7661919

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(Z)-[(4-methylphenyl)hydrazinylidene]methyl]-2-nitroaniline?
The IUPAC name of N,N-dimethyl-4-[(Z)-[(4-methylphenyl)hydrazinylidene]methyl]-2-nitroaniline (CID 9059583) is N,N-dimethyl-4-[(Z)-[(4-methylphenyl)hydrazinylidene]methyl]-2-nitroaniline.
What is the SMILES notation for N,N-dimethyl-4-[(Z)-[(4-methylphenyl)hydrazinylidene]methyl]-2-nitroaniline?
The canonical SMILES for N,N-dimethyl-4-[(Z)-[(4-methylphenyl)hydrazinylidene]methyl]-2-nitroaniline is Cc1ccc(N/N=C\c2ccc(N(C)C)c([N+](=O)[O-])c2)cc1.
What is the InChIKey of N,N-dimethyl-4-[(Z)-[(4-methylphenyl)hydrazinylidene]methyl]-2-nitroaniline?
The InChIKey is ZHRQRHBXWBBLKX-BOPFTXTBSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-12-4-7-14(8-5-12)18-17-11-13-6-9-15(19(2)3)16(10-13)20(21)22/h4-11,18H,1-3H3/b17-11-.
What are the key properties of N,N-dimethyl-4-[(Z)-[(4-methylphenyl)hydrazinylidene]methyl]-2-nitroaniline?
N,N-dimethyl-4-[(Z)-[(4-methylphenyl)hydrazinylidene]methyl]-2-nitroaniline has a molecular weight of 298.35 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(Z)-[(4-methylphenyl)hydrazinylidene]methyl]-2-nitroaniline is sourced from PubChem (CID 9059583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).