ethane;methyl-(4-methylphenyl)diazene;naphthalene;propane

C23H32N2 — CID 91223806

IUPACethane;methyl-(4-methylphenyl)diazene;naphthalene;propane
SMILESC/N=N/c1ccc(C)cc1.CC.CCC.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C8H10N2.C3H8.C2H6/c1-2-6-10-8-4-3-7-9(10)5-1;1-7-3-5-8(6-4-7)10-9-2;1-3-2;1-2/h1-8H;3-6H,1-2H3;3H2,1-2H3;1-2H3/b;10-9+;;
InChIKeyRKOAAOMHWIIRIJ-VAIVLIKXSA-N
MW336.52 g/mol
LogP7.99
Rot. Bonds1

About ethane;methyl-(4-methylphenyl)diazene;naphthalene;propane

ethane;methyl-(4-methylphenyl)diazene;naphthalene;propane (PubChem CID 91223806) has the molecular formula C23H32N2 and a molecular weight of 336.52 g/mol. Its IUPAC name is ethane;methyl-(4-methylphenyl)diazene;naphthalene;propane.

Molecular Properties

Compound Nameethane;methyl-(4-methylphenyl)diazene;naphthalene;propane
PubChem CID91223806
Molecular FormulaC23H32N2
Molecular Weight336.52 g/mol
Exact Mass336.26
IUPAC Nameethane;methyl-(4-methylphenyl)diazene;naphthalene;propane
SMILESC/N=N/c1ccc(C)cc1.CC.CCC.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C8H10N2.C3H8.C2H6/c1-2-6-10-8-4-3-7-9(10)5-1;1-7-3-5-8(6-4-7)10-9-2;1-3-2;1-2/h1-8H;3-6H,1-2H3;3H2,1-2H3;1-2H3/b;10-9+;;
InChIKeyRKOAAOMHWIIRIJ-VAIVLIKXSA-N
XLogP7.99
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.52
LogP ≤ 57.99
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'}

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Related Compounds

butane;ethane;3-methyl-2-(methyldiazenyl)naphthalen-1-ol;methyl-(4-methylphenyl)diazene;naphthalene;propane
CID 158181040
bis(dimethyldiazene);ethane;naphthalene;propane
CID 162213111
ethane;naphthalene;propane;toluene
CID 91119516
ethane;naphthalene;propane;toluene
CID 159937735
dimethyldiazene;naphthalene;propane
CID 91288749
ethane;3-methyl-2-[[4-(methyldiazenyl)phenyl]diazenyl]naphthalen-1-ol;naphthalene;propane
CID 136648288
ethane;naphthalene;propane
CID 158972865
butane;ethane;methyl(phenyl)diazene;naphthalene;phenyl-(2,4,5-trimethylphenyl)diazene;propane;toluene;1,3-xylene
CID 157122735
ethane;methyl-[4-[4-(methyldiazenyl)phenyl]phenyl]diazene;methyl(phenyl)diazene
CID 158007531
(4-methylphenyl)-naphthalen-1-yldiazene
CID 20700715
bis(4-methylphenyl)diazene
CID 10389
ethane;3-methyl-2-(methyldiazenyl)naphthalen-1-ol;naphthalene;propane
CID 136648699

Frequently Asked Questions

What is the IUPAC name of ethane;methyl-(4-methylphenyl)diazene;naphthalene;propane?
The IUPAC name of ethane;methyl-(4-methylphenyl)diazene;naphthalene;propane (CID 91223806) is ethane;methyl-(4-methylphenyl)diazene;naphthalene;propane.
What is the SMILES notation for ethane;methyl-(4-methylphenyl)diazene;naphthalene;propane?
The canonical SMILES for ethane;methyl-(4-methylphenyl)diazene;naphthalene;propane is C/N=N/c1ccc(C)cc1.CC.CCC.c1ccc2ccccc2c1.
What is the InChIKey of ethane;methyl-(4-methylphenyl)diazene;naphthalene;propane?
The InChIKey is RKOAAOMHWIIRIJ-VAIVLIKXSA-N. The full InChI is InChI=1S/C10H8.C8H10N2.C3H8.C2H6/c1-2-6-10-8-4-3-7-9(10)5-1;1-7-3-5-8(6-4-7)10-9-2;1-3-2;1-2/h1-8H;3-6H,1-2H3;3H2,1-2H3;1-2H3/b;10-9+;;.
What are the key properties of ethane;methyl-(4-methylphenyl)diazene;naphthalene;propane?
ethane;methyl-(4-methylphenyl)diazene;naphthalene;propane has a molecular weight of 336.52 g/mol, XLogP of 7.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl-(4-methylphenyl)diazene;naphthalene;propane is sourced from PubChem (CID 91223806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).