ethane;(2-methylphenyl)-phenyldiazene;propane

C18H26N2 — CID 143988882

IUPACethane;(2-methylphenyl)-phenyldiazene;propane
SMILESCC.CCC.Cc1ccccc1/N=N/c1ccccc1
InChIInChI=1S/C13H12N2.C3H8.C2H6/c1-11-7-5-6-10-13(11)15-14-12-8-3-2-4-9-12;1-3-2;1-2/h2-10H,1H3;3H2,1-2H3;1-2H3/b15-14+;;
InChIKeyJNEKHFPFYZIIJI-NSKUCRDLSA-N
MW270.42 g/mol
LogP6.85
Rot. Bonds2

About ethane;(2-methylphenyl)-phenyldiazene;propane

ethane;(2-methylphenyl)-phenyldiazene;propane (PubChem CID 143988882) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is ethane;(2-methylphenyl)-phenyldiazene;propane.

Molecular Properties

Compound Nameethane;(2-methylphenyl)-phenyldiazene;propane
PubChem CID143988882
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Nameethane;(2-methylphenyl)-phenyldiazene;propane
SMILESCC.CCC.Cc1ccccc1/N=N/c1ccccc1
InChIInChI=1S/C13H12N2.C3H8.C2H6/c1-11-7-5-6-10-13(11)15-14-12-8-3-2-4-9-12;1-3-2;1-2/h2-10H,1H3;3H2,1-2H3;1-2H3/b15-14+;;
InChIKeyJNEKHFPFYZIIJI-NSKUCRDLSA-N
XLogP6.85
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.42
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;(2-methylphenyl)-phenyldiazene;propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl-(2-methylphenyl)diazene
CID 145391472
(3-bromophenyl)-(2-methylphenyl)diazene
CID 563793
ethane;naphthalen-1-yl-(4-phenyldiazenylnaphthalen-1-yl)diazene
CID 91607155
(4-methyl-3-pyridinyl)-phenyldiazene
CID 121008479
4,5-dimethyl-2-phenyldiazenylaniline
CID 88743909
2,6-dimethyl-4-[(2-methylphenyl)diazenyl]phenol
CID 137240605
2-[[2-[(2-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline
CID 56927616
1-(aminodiazenyl)-2-methylbenzene
CID 21467423
2-phenyldiazenylphenol
CID 16897
(2-pentylphenyl)-phenyldiazene
CID 90460821
diphenyldiazene;hydrofluoride
CID 174857584
ethanol;3-methyl-2-[(2-methylphenyl)diazenyl]aniline
CID 87488741

Frequently Asked Questions

What is the IUPAC name of ethane;(2-methylphenyl)-phenyldiazene;propane?
The IUPAC name of ethane;(2-methylphenyl)-phenyldiazene;propane (CID 143988882) is ethane;(2-methylphenyl)-phenyldiazene;propane.
What is the SMILES notation for ethane;(2-methylphenyl)-phenyldiazene;propane?
The canonical SMILES for ethane;(2-methylphenyl)-phenyldiazene;propane is CC.CCC.Cc1ccccc1/N=N/c1ccccc1.
What is the InChIKey of ethane;(2-methylphenyl)-phenyldiazene;propane?
The InChIKey is JNEKHFPFYZIIJI-NSKUCRDLSA-N. The full InChI is InChI=1S/C13H12N2.C3H8.C2H6/c1-11-7-5-6-10-13(11)15-14-12-8-3-2-4-9-12;1-3-2;1-2/h2-10H,1H3;3H2,1-2H3;1-2H3/b15-14+;;.
What are the key properties of ethane;(2-methylphenyl)-phenyldiazene;propane?
ethane;(2-methylphenyl)-phenyldiazene;propane has a molecular weight of 270.42 g/mol, XLogP of 6.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2-methylphenyl)-phenyldiazene;propane is sourced from PubChem (CID 143988882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).