(3,4-dimethylphenyl)-methyldiazene;ethane

C11H18N2 — CID 91109897

IUPAC(3,4-dimethylphenyl)-methyldiazene;ethane
SMILESC/N=N/c1ccc(C)c(C)c1.CC
InChIInChI=1S/C9H12N2.C2H6/c1-7-4-5-9(11-10-3)6-8(7)2;1-2/h4-6H,1-3H3;1-2H3/b11-10+;
InChIKeyKQPLOAMVHJHOFL-ASTDGNLGSA-N
MW178.28 g/mol
LogP4.04
Rot. Bonds1

About (3,4-dimethylphenyl)-methyldiazene;ethane

(3,4-dimethylphenyl)-methyldiazene;ethane (PubChem CID 91109897) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-methyldiazene;ethane.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-methyldiazene;ethane
PubChem CID91109897
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(3,4-dimethylphenyl)-methyldiazene;ethane
SMILESC/N=N/c1ccc(C)c(C)c1.CC
InChIInChI=1S/C9H12N2.C2H6/c1-7-4-5-9(11-10-3)6-8(7)2;1-2/h4-6H,1-3H3;1-2H3/b11-10+;
InChIKeyKQPLOAMVHJHOFL-ASTDGNLGSA-N
XLogP4.04
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 54.04
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

2,6-dimethyl-4-(methyldiazenyl)phenol
CID 136994157
methyl-(8-methylnaphthalen-2-yl)diazene
CID 58667322
3,4-dimethylaniline;4-isothiocyanato-1,2-dimethylbenzene
CID 158429359
4-[(3,4-dimethylphenyl)diazenyl]-3-methoxyaniline
CID 118049560
1-[(3,4-dimethylphenyl)diazenyl]-3-methylnaphthalen-2-ol
CID 135597429
(3,4-dimethylphenyl)-(1,3,6,8-tetramethylnaphthalen-2-yl)diazene
CID 54187201
1-(3,4-dimethylanilino)-3-(3,4-dimethylphenyl)iminothiourea
CID 102195286
4-[[4-[[4-[(4-hydroxy-3,5-dimethylphenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-2,6-dimethylphenol
CID 136901382
5-[(3,4-dimethylphenyl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione
CID 135997650
ethane;methyl-[4-[4-(methyldiazenyl)phenyl]phenyl]diazene;methyl(phenyl)diazene
CID 158007531
1,2,4-trimethylbenzene
CID 7247
ethane;fluoromethane;1,2,4-trimethylbenzene
CID 143343895

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-methyldiazene;ethane?
The IUPAC name of (3,4-dimethylphenyl)-methyldiazene;ethane (CID 91109897) is (3,4-dimethylphenyl)-methyldiazene;ethane.
What is the SMILES notation for (3,4-dimethylphenyl)-methyldiazene;ethane?
The canonical SMILES for (3,4-dimethylphenyl)-methyldiazene;ethane is C/N=N/c1ccc(C)c(C)c1.CC.
What is the InChIKey of (3,4-dimethylphenyl)-methyldiazene;ethane?
The InChIKey is KQPLOAMVHJHOFL-ASTDGNLGSA-N. The full InChI is InChI=1S/C9H12N2.C2H6/c1-7-4-5-9(11-10-3)6-8(7)2;1-2/h4-6H,1-3H3;1-2H3/b11-10+;.
What are the key properties of (3,4-dimethylphenyl)-methyldiazene;ethane?
(3,4-dimethylphenyl)-methyldiazene;ethane has a molecular weight of 178.28 g/mol, XLogP of 4.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-methyldiazene;ethane is sourced from PubChem (CID 91109897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).