N,N-dimethyl-4-[(4-nitrophenyl)diazenyl]naphthalen-1-amine

C18H16N4O2 — CID 3682098

IUPACN,N-dimethyl-4-[(4-nitrophenyl)diazenyl]naphthalen-1-amine
SMILESCN(C)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)c2ccccc12
InChIInChI=1S/C18H16N4O2/c1-21(2)18-12-11-17(15-5-3-4-6-16(15)18)20-19-13-7-9-14(10-8-13)22(23)24/h3-12H,1-2H3/b20-19+
InChIKeyTYDHNGUGPAPPNO-FMQUCBEESA-N
MW320.35 g/mol
LogP5.23
Rot. Bonds4

About N,N-dimethyl-4-[(4-nitrophenyl)diazenyl]naphthalen-1-amine

N,N-dimethyl-4-[(4-nitrophenyl)diazenyl]naphthalen-1-amine (PubChem CID 3682098) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is N,N-dimethyl-4-[(4-nitrophenyl)diazenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-[(4-nitrophenyl)diazenyl]naphthalen-1-amine
PubChem CID3682098
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC NameN,N-dimethyl-4-[(4-nitrophenyl)diazenyl]naphthalen-1-amine
SMILESCN(C)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)c2ccccc12
InChIInChI=1S/C18H16N4O2/c1-21(2)18-12-11-17(15-5-3-4-6-16(15)18)20-19-13-7-9-14(10-8-13)22(23)24/h3-12H,1-2H3/b20-19+
InChIKeyTYDHNGUGPAPPNO-FMQUCBEESA-N
XLogP5.23
TPSA71.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.35
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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-(2-(4-((2-Cyanoethyl)ethylamino)phenyl)diazenyl)-5-nitrobenzonitrile
CID 85627
1,3-dimethyl-6-nitro-2,3-dihydro-1H-perimidine
CID 3529948
Pyrrolidine, 1-(4-nitro-1-naphthalenyl)-
CID 4430623
(2-Methyl-4-nitrophenyl)(2-naphthylmethyl)amine
CID 2851202
N-methyl-1-(1-naphthyl)-N-(3-nitrobenzyl)methanamine
CID 782158
1-[(2-Methylphenyl)methyl]-5-nitro-2,3-dihydroindole
CID 9533729
N,N-Dimethyl-4-(2-(1-naphthalenyl)diazenyl)benzenamine
CID 11832
4,4'-((3-Nitrophenyl)methylene)bis(N,N-dimethylaniline)
CID 221073
2-((4-((2-Cyanoethyl)(2-phenylethyl)amino)phenyl)azo)-5-nitrobenzonitrile
CID 90555
N-(1,2,3,4-tetrahydro-1-naphthyl)-4-nitroaniline
CID 4780637
(2-Methyl-4-nitrophenyl)(1-naphthylmethyl)amine
CID 2852625
ANILINE, N,N-DIMETHYL-p-(2-NAPHTHYLAZO)-
CID 11949

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(4-nitrophenyl)diazenyl]naphthalen-1-amine?
The IUPAC name of N,N-dimethyl-4-[(4-nitrophenyl)diazenyl]naphthalen-1-amine (CID 3682098) is N,N-dimethyl-4-[(4-nitrophenyl)diazenyl]naphthalen-1-amine.
What is the SMILES notation for N,N-dimethyl-4-[(4-nitrophenyl)diazenyl]naphthalen-1-amine?
The canonical SMILES for N,N-dimethyl-4-[(4-nitrophenyl)diazenyl]naphthalen-1-amine is CN(C)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)c2ccccc12.
What is the InChIKey of N,N-dimethyl-4-[(4-nitrophenyl)diazenyl]naphthalen-1-amine?
The InChIKey is TYDHNGUGPAPPNO-FMQUCBEESA-N. The full InChI is InChI=1S/C18H16N4O2/c1-21(2)18-12-11-17(15-5-3-4-6-16(15)18)20-19-13-7-9-14(10-8-13)22(23)24/h3-12H,1-2H3/b20-19+.
What are the key properties of N,N-dimethyl-4-[(4-nitrophenyl)diazenyl]naphthalen-1-amine?
N,N-dimethyl-4-[(4-nitrophenyl)diazenyl]naphthalen-1-amine has a molecular weight of 320.35 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(4-nitrophenyl)diazenyl]naphthalen-1-amine is sourced from PubChem (CID 3682098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).