ethane;3-methyl-2-(methyldiazenyl)naphthalen-1-ol;naphthalene;propane

C31H46N2O — CID 136648699

IUPACethane;3-methyl-2-(methyldiazenyl)naphthalen-1-ol;naphthalene;propane
SMILESC/N=N/c1c(C)cc2ccccc2c1O.CC.CC.CC.CCC.c1ccc2ccccc2c1
InChIInChI=1S/C12H12N2O.C10H8.C3H8.3C2H6/c1-8-7-9-5-3-4-6-10(9)12(15)11(8)14-13-2;1-2-6-10-8-4-3-7-9(10)5-1;1-3-2;3*1-2/h3-7,15H,1-2H3;1-8H;3H2,1-2H3;3*1-2H3/b14-13+;;;;;
InChIKeyCGGFYURMMHQJMM-ACQMDWLESA-N
MW462.72 g/mol
LogP10.90
Rot. Bonds1

About ethane;3-methyl-2-(methyldiazenyl)naphthalen-1-ol;naphthalene;propane

ethane;3-methyl-2-(methyldiazenyl)naphthalen-1-ol;naphthalene;propane (PubChem CID 136648699) has the molecular formula C31H46N2O and a molecular weight of 462.72 g/mol. Its IUPAC name is ethane;3-methyl-2-(methyldiazenyl)naphthalen-1-ol;naphthalene;propane.

Molecular Properties

Compound Nameethane;3-methyl-2-(methyldiazenyl)naphthalen-1-ol;naphthalene;propane
PubChem CID136648699
Molecular FormulaC31H46N2O
Molecular Weight462.72 g/mol
Exact Mass462.36
IUPAC Nameethane;3-methyl-2-(methyldiazenyl)naphthalen-1-ol;naphthalene;propane
SMILESC/N=N/c1c(C)cc2ccccc2c1O.CC.CC.CC.CCC.c1ccc2ccccc2c1
InChIInChI=1S/C12H12N2O.C10H8.C3H8.3C2H6/c1-8-7-9-5-3-4-6-10(9)12(15)11(8)14-13-2;1-2-6-10-8-4-3-7-9(10)5-1;1-3-2;3*1-2/h3-7,15H,1-2H3;1-8H;3H2,1-2H3;3*1-2H3/b14-13+;;;;;
InChIKeyCGGFYURMMHQJMM-ACQMDWLESA-N
XLogP10.90
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.72
LogP ≤ 510.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

ethane;3-methyl-2-[[4-(methyldiazenyl)phenyl]diazenyl]naphthalen-1-ol;naphthalene;propane
CID 136648288
butane;ethane;3-methyl-2-(methyldiazenyl)naphthalen-1-ol;methyl-(4-methylphenyl)diazene;naphthalene;propane
CID 158181040
8-amino-3,6-dimethyl-2,7-bis(methyldiazenyl)naphthalen-1-ol;ethane;naphthalene
CID 136649512
3,6,7-trimethyl-2-(methyldiazenyl)naphthalen-1-ol
CID 135597296
ethane;2-[[4-(methyldiazenyl)phenyl]diazenyl]-3-(trioxidanylsulfanyl)naphthalen-1-ol;naphthalene;propane
CID 137046301
ethane;2-[[4-(methyldiazenyl)phenyl]diazenyl]-3-(trioxidanylsulfanyl)naphthalen-1-ol;naphthalene;propane
CID 162161563
ethane;methyl-(4-methylphenyl)diazene;naphthalene;propane
CID 91223806
bis(dimethyldiazene);ethane;naphthalene;propane
CID 162213111
2-fluoro-3-methylnaphthalen-1-ol
CID 150732713
4-[(dimethylamino)methyl]-2-[(1-hydroxy-3-methylnaphthalen-2-yl)diazenyl]benzenesulfonic acid
CID 135626972
dimethyldiazene;naphthalene;propane
CID 91288749
ethane;methane;9-methylphenanthrene
CID 169171289

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-2-(methyldiazenyl)naphthalen-1-ol;naphthalene;propane?
The IUPAC name of ethane;3-methyl-2-(methyldiazenyl)naphthalen-1-ol;naphthalene;propane (CID 136648699) is ethane;3-methyl-2-(methyldiazenyl)naphthalen-1-ol;naphthalene;propane.
What is the SMILES notation for ethane;3-methyl-2-(methyldiazenyl)naphthalen-1-ol;naphthalene;propane?
The canonical SMILES for ethane;3-methyl-2-(methyldiazenyl)naphthalen-1-ol;naphthalene;propane is C/N=N/c1c(C)cc2ccccc2c1O.CC.CC.CC.CCC.c1ccc2ccccc2c1.
What is the InChIKey of ethane;3-methyl-2-(methyldiazenyl)naphthalen-1-ol;naphthalene;propane?
The InChIKey is CGGFYURMMHQJMM-ACQMDWLESA-N. The full InChI is InChI=1S/C12H12N2O.C10H8.C3H8.3C2H6/c1-8-7-9-5-3-4-6-10(9)12(15)11(8)14-13-2;1-2-6-10-8-4-3-7-9(10)5-1;1-3-2;3*1-2/h3-7,15H,1-2H3;1-8H;3H2,1-2H3;3*1-2H3/b14-13+;;;;;.
What are the key properties of ethane;3-methyl-2-(methyldiazenyl)naphthalen-1-ol;naphthalene;propane?
ethane;3-methyl-2-(methyldiazenyl)naphthalen-1-ol;naphthalene;propane has a molecular weight of 462.72 g/mol, XLogP of 10.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-2-(methyldiazenyl)naphthalen-1-ol;naphthalene;propane is sourced from PubChem (CID 136648699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).