N-hexyl-N-methyl-4-[(4-nitrophenyl)diazenyl]aniline

C19H24N4O2 — CID 71322282

IUPACN-hexyl-N-methyl-4-[(4-nitrophenyl)diazenyl]aniline
SMILESCCCCCCN(C)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C19H24N4O2/c1-3-4-5-6-15-22(2)18-11-7-16(8-12-18)20-21-17-9-13-19(14-10-17)23(24)25/h7-14H,3-6,15H2,1-2H3/b21-20+
InChIKeyYXNADEHJCFZZPS-QZQOTICOSA-N
MW340.43 g/mol
LogP6.03
Rot. Bonds9

About N-hexyl-N-methyl-4-[(4-nitrophenyl)diazenyl]aniline

N-hexyl-N-methyl-4-[(4-nitrophenyl)diazenyl]aniline (PubChem CID 71322282) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-hexyl-N-methyl-4-[(4-nitrophenyl)diazenyl]aniline.

Molecular Properties

Compound NameN-hexyl-N-methyl-4-[(4-nitrophenyl)diazenyl]aniline
PubChem CID71322282
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-hexyl-N-methyl-4-[(4-nitrophenyl)diazenyl]aniline
SMILESCCCCCCN(C)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C19H24N4O2/c1-3-4-5-6-15-22(2)18-11-7-16(8-12-18)20-21-17-9-13-19(14-10-17)23(24)25/h7-14H,3-6,15H2,1-2H3/b21-20+
InChIKeyYXNADEHJCFZZPS-QZQOTICOSA-N
XLogP6.03
TPSA71.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.43
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

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Related Compounds

N-hexyl-N-methyl-4-nitroaniline
CID 10799823
N,N-dibutyl-4-[(4-nitrophenyl)diazenyl]aniline
CID 2818364
4-[[4-[(4-chlorophenyl)diazenyl]phenyl]diazenyl]-N-hexyl-N-methylaniline
CID 71322374
2-[N-hexyl-4-[(4-nitrophenyl)diazenyl]anilino]butan-1-ol
CID 19819187
N-hexyl-4-[(4-nitrophenyl)diazenyl]-N-propylbenzamide
CID 90473394
6-[N-methyl-4-[(4-nitrophenyl)diazenyl]anilino]hexyl 2-(trimethylazaniumyl)ethyl phosphate
CID 177459258
2-methyl-5-[N-methyl-4-[(4-nitrophenyl)diazenyl]anilino]pent-1-en-3-one
CID 19879914
2-[N-butyl-4-[(4-nitrophenyl)diazenyl]anilino]propan-1-ol
CID 19819197
N-hexyl-N-methyl-4-[[4-(2-phenylethyl)phenyl]diazenyl]aniline
CID 71322290
4-[(E)-2-[5-hexoxy-2-[2-[N-methyl-4-[(4-nitrophenyl)diazenyl]anilino]ethoxy]-4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diphenylaniline
CID 101211354
(4-butylsulfanylphenyl)-(4-nitrophenyl)diazene
CID 134880152
N-butyl-4-[(4-nitrophenyl)diazenyl]-N-propylbenzamide
CID 71438380

Frequently Asked Questions

What is the IUPAC name of N-hexyl-N-methyl-4-[(4-nitrophenyl)diazenyl]aniline?
The IUPAC name of N-hexyl-N-methyl-4-[(4-nitrophenyl)diazenyl]aniline (CID 71322282) is N-hexyl-N-methyl-4-[(4-nitrophenyl)diazenyl]aniline.
What is the SMILES notation for N-hexyl-N-methyl-4-[(4-nitrophenyl)diazenyl]aniline?
The canonical SMILES for N-hexyl-N-methyl-4-[(4-nitrophenyl)diazenyl]aniline is CCCCCCN(C)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-hexyl-N-methyl-4-[(4-nitrophenyl)diazenyl]aniline?
The InChIKey is YXNADEHJCFZZPS-QZQOTICOSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-3-4-5-6-15-22(2)18-11-7-16(8-12-18)20-21-17-9-13-19(14-10-17)23(24)25/h7-14H,3-6,15H2,1-2H3/b21-20+.
What are the key properties of N-hexyl-N-methyl-4-[(4-nitrophenyl)diazenyl]aniline?
N-hexyl-N-methyl-4-[(4-nitrophenyl)diazenyl]aniline has a molecular weight of 340.43 g/mol, XLogP of 6.03, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-N-methyl-4-[(4-nitrophenyl)diazenyl]aniline is sourced from PubChem (CID 71322282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).