2,4-dinitro-N-[(3,3,6,8-tetramethyl-2,4-dihydronaphthalen-1-ylidene)amino]aniline

C20H22N4O4 — CID 2796412

IUPAC2,4-dinitro-N-[(3,3,6,8-tetramethyl-2,4-dihydronaphthalen-1-ylidene)amino]aniline
SMILESCc1cc(C)c2c(c1)CC(C)(C)CC2=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C20H22N4O4/c1-12-7-13(2)19-14(8-12)10-20(3,4)11-17(19)22-21-16-6-5-15(23(25)26)9-18(16)24(27)28/h5-9,21H,10-11H2,1-4H3
InChIKeyNEZINZLMQNDMDY-UHFFFAOYSA-N
MW382.42 g/mol
LogP4.91
Rot. Bonds4

About 2,4-dinitro-N-[(3,3,6,8-tetramethyl-2,4-dihydronaphthalen-1-ylidene)amino]aniline

2,4-dinitro-N-[(3,3,6,8-tetramethyl-2,4-dihydronaphthalen-1-ylidene)amino]aniline (PubChem CID 2796412) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 2,4-dinitro-N-[(3,3,6,8-tetramethyl-2,4-dihydronaphthalen-1-ylidene)amino]aniline.

Molecular Properties

Compound Name2,4-dinitro-N-[(3,3,6,8-tetramethyl-2,4-dihydronaphthalen-1-ylidene)amino]aniline
PubChem CID2796412
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name2,4-dinitro-N-[(3,3,6,8-tetramethyl-2,4-dihydronaphthalen-1-ylidene)amino]aniline
SMILESCc1cc(C)c2c(c1)CC(C)(C)CC2=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C20H22N4O4/c1-12-7-13(2)19-14(8-12)10-20(3,4)11-17(19)22-21-16-6-5-15(23(25)26)9-18(16)24(27)28/h5-9,21H,10-11H2,1-4H3
InChIKeyNEZINZLMQNDMDY-UHFFFAOYSA-N
XLogP4.91
TPSA110.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2,4-dinitro-N-[(Z)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]aniline
CID 5378904
N-[[7-[(2,4-dinitrophenyl)hydrazinylidene]-6-bicyclo[10.2.2]hexadeca-1(14),12,15-trienylidene]amino]-2,4-dinitroaniline
CID 6834381
N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2,4-dinitroaniline
CID 5379027
N-[(E)-[2-bromo-1-(4-methylphenyl)ethylidene]amino]-2,4-dinitroaniline
CID 21203175
N-[(8-methyl-2,3-dihydro-1H-quinolin-4-ylidene)amino]-2,4-dinitroaniline
CID 165344798
N-[(4-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienylidene)amino]-2,4-dinitroaniline
CID 2752978
N-(2,4-dinitrophenyl)nitrous amide
CID 54504418
N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2,4-dinitroaniline
CID 6154139
N-[(Z)-(3-methylcyclohex-3-en-1-ylidene)amino]-2,4-dinitroaniline
CID 134125486
N-[(2,6-dimethylcyclohexylidene)amino]-2,4-dinitroaniline
CID 51056576
N-[(2-chlorocyclohex-2-en-1-ylidene)amino]-2,4-dinitroaniline
CID 131887445
2-[(5Z)-5-[(2,4-dinitrophenyl)hydrazinylidene]-4-methylcyclohex-3-en-1-yl]propan-2-yl acetate
CID 5378283

Frequently Asked Questions

What is the IUPAC name of 2,4-dinitro-N-[(3,3,6,8-tetramethyl-2,4-dihydronaphthalen-1-ylidene)amino]aniline?
The IUPAC name of 2,4-dinitro-N-[(3,3,6,8-tetramethyl-2,4-dihydronaphthalen-1-ylidene)amino]aniline (CID 2796412) is 2,4-dinitro-N-[(3,3,6,8-tetramethyl-2,4-dihydronaphthalen-1-ylidene)amino]aniline.
What is the SMILES notation for 2,4-dinitro-N-[(3,3,6,8-tetramethyl-2,4-dihydronaphthalen-1-ylidene)amino]aniline?
The canonical SMILES for 2,4-dinitro-N-[(3,3,6,8-tetramethyl-2,4-dihydronaphthalen-1-ylidene)amino]aniline is Cc1cc(C)c2c(c1)CC(C)(C)CC2=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of 2,4-dinitro-N-[(3,3,6,8-tetramethyl-2,4-dihydronaphthalen-1-ylidene)amino]aniline?
The InChIKey is NEZINZLMQNDMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-12-7-13(2)19-14(8-12)10-20(3,4)11-17(19)22-21-16-6-5-15(23(25)26)9-18(16)24(27)28/h5-9,21H,10-11H2,1-4H3.
What are the key properties of 2,4-dinitro-N-[(3,3,6,8-tetramethyl-2,4-dihydronaphthalen-1-ylidene)amino]aniline?
2,4-dinitro-N-[(3,3,6,8-tetramethyl-2,4-dihydronaphthalen-1-ylidene)amino]aniline has a molecular weight of 382.42 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dinitro-N-[(3,3,6,8-tetramethyl-2,4-dihydronaphthalen-1-ylidene)amino]aniline is sourced from PubChem (CID 2796412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).