N-benzyl-N-methyl-4-[[4-(pentyldiazenyl)phenyl]diazenyl]aniline

C25H29N5 — CID 87500130

IUPACN-benzyl-N-methyl-4-[[4-(pentyldiazenyl)phenyl]diazenyl]aniline
SMILESCCCCC/N=N/c1ccc(/N=N/c2ccc(N(C)Cc3ccccc3)cc2)cc1
InChIInChI=1S/C25H29N5/c1-3-4-8-19-26-27-22-11-13-23(14-12-22)28-29-24-15-17-25(18-16-24)30(2)20-21-9-6-5-7-10-21/h5-7,9-18H,3-4,8,19-20H2,1-2H3/b27-26+,29-28+
InChIKeyMOUPGEJPTPWOHB-ZDXBJJIESA-N
MW399.54 g/mol
LogP8.01
Rot. Bonds10

About N-benzyl-N-methyl-4-[[4-(pentyldiazenyl)phenyl]diazenyl]aniline

N-benzyl-N-methyl-4-[[4-(pentyldiazenyl)phenyl]diazenyl]aniline (PubChem CID 87500130) has the molecular formula C25H29N5 and a molecular weight of 399.54 g/mol. Its IUPAC name is N-benzyl-N-methyl-4-[[4-(pentyldiazenyl)phenyl]diazenyl]aniline.

Molecular Properties

Compound NameN-benzyl-N-methyl-4-[[4-(pentyldiazenyl)phenyl]diazenyl]aniline
PubChem CID87500130
Molecular FormulaC25H29N5
Molecular Weight399.54 g/mol
Exact Mass399.24
IUPAC NameN-benzyl-N-methyl-4-[[4-(pentyldiazenyl)phenyl]diazenyl]aniline
SMILESCCCCC/N=N/c1ccc(/N=N/c2ccc(N(C)Cc3ccccc3)cc2)cc1
InChIInChI=1S/C25H29N5/c1-3-4-8-19-26-27-22-11-13-23(14-12-22)28-29-24-15-17-25(18-16-24)30(2)20-21-9-6-5-7-10-21/h5-7,9-18H,3-4,8,19-20H2,1-2H3/b27-26+,29-28+
InChIKeyMOUPGEJPTPWOHB-ZDXBJJIESA-N
XLogP8.01
TPSA52.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.54
LogP ≤ 58.01
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'}

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Related Compounds

4-[[4-[benzyl(methyl)amino]phenyl]diazenyl]aniline
CID 149144793
N-hexyl-N-methyl-4-[[4-(2-phenylethyl)phenyl]diazenyl]aniline
CID 71322290
N-benzyl-4-[(2,6-dichloro-4-methylphenyl)diazenyl]-N-methylaniline
CID 123495257
N-benzyl-4-[(2,3-dimethyl-1H-1,2,4-triazol-2-ium-5-yl)diazenyl]-N-methylaniline
CID 135966530
N-benzyl-4-[(5-bromo-3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]-N-methylaniline bromide
CID 87610265
N-benzyl-N-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)diazenyl]aniline
CID 22090322
N-benzyl-N-methyl-4-phenylaniline
CID 23459365
N-benzyl-4-[(3,4-dimethyl-1,3-thiazol-3-ium-2-yl)diazenyl]-N-methylaniline
CID 87610236
zinc;bis(N-benzyl-N-methyl-4-[(1,2,4-trimethyl-3H-1,2,4-triazol-4-ium-5-yl)diazenyl]aniline);tetrachloride
CID 138401802
zinc;bis(N-benzyl-4-[(1,2-dimethyl-1,2,4-triazol-1-ium-3-yl)diazenyl]-N-methylaniline);tetrachloride
CID 170842119
N,N-dibenzyl-1-phenylmethanamine;hexane
CID 174855522
[[1-[[4-[benzyl(methyl)amino]phenyl]diazenyl]ethenyl-methylamino]methylamino]-methylazanium
CID 163886871

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-4-[[4-(pentyldiazenyl)phenyl]diazenyl]aniline?
The IUPAC name of N-benzyl-N-methyl-4-[[4-(pentyldiazenyl)phenyl]diazenyl]aniline (CID 87500130) is N-benzyl-N-methyl-4-[[4-(pentyldiazenyl)phenyl]diazenyl]aniline.
What is the SMILES notation for N-benzyl-N-methyl-4-[[4-(pentyldiazenyl)phenyl]diazenyl]aniline?
The canonical SMILES for N-benzyl-N-methyl-4-[[4-(pentyldiazenyl)phenyl]diazenyl]aniline is CCCCC/N=N/c1ccc(/N=N/c2ccc(N(C)Cc3ccccc3)cc2)cc1.
What is the InChIKey of N-benzyl-N-methyl-4-[[4-(pentyldiazenyl)phenyl]diazenyl]aniline?
The InChIKey is MOUPGEJPTPWOHB-ZDXBJJIESA-N. The full InChI is InChI=1S/C25H29N5/c1-3-4-8-19-26-27-22-11-13-23(14-12-22)28-29-24-15-17-25(18-16-24)30(2)20-21-9-6-5-7-10-21/h5-7,9-18H,3-4,8,19-20H2,1-2H3/b27-26+,29-28+.
What are the key properties of N-benzyl-N-methyl-4-[[4-(pentyldiazenyl)phenyl]diazenyl]aniline?
N-benzyl-N-methyl-4-[[4-(pentyldiazenyl)phenyl]diazenyl]aniline has a molecular weight of 399.54 g/mol, XLogP of 8.01, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-4-[[4-(pentyldiazenyl)phenyl]diazenyl]aniline is sourced from PubChem (CID 87500130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).