N-[4-(ethyldiazenyl)phenyl]-4-(methyldiazenyl)aniline;methane

C16H21N5 — CID 160819613

IUPACN-[4-(ethyldiazenyl)phenyl]-4-(methyldiazenyl)aniline;methane
SMILESC.CC/N=N/c1ccc(Nc2ccc(/N=N/C)cc2)cc1
InChIInChI=1S/C15H17N5.CH4/c1-3-17-20-15-10-6-13(7-11-15)18-12-4-8-14(9-5-12)19-16-2;/h4-11,18H,3H2,1-2H3;1H4/b19-16+,20-17+;
InChIKeySFJARZCFVVZUIR-DRLRJYAMSA-N
MW283.38 g/mol
LogP5.88
Rot. Bonds5

About N-[4-(ethyldiazenyl)phenyl]-4-(methyldiazenyl)aniline;methane

N-[4-(ethyldiazenyl)phenyl]-4-(methyldiazenyl)aniline;methane (PubChem CID 160819613) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[4-(ethyldiazenyl)phenyl]-4-(methyldiazenyl)aniline;methane.

Molecular Properties

Compound NameN-[4-(ethyldiazenyl)phenyl]-4-(methyldiazenyl)aniline;methane
PubChem CID160819613
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC NameN-[4-(ethyldiazenyl)phenyl]-4-(methyldiazenyl)aniline;methane
SMILESC.CC/N=N/c1ccc(Nc2ccc(/N=N/C)cc2)cc1
InChIInChI=1S/C15H17N5.CH4/c1-3-17-20-15-10-6-13(7-11-15)18-12-4-8-14(9-5-12)19-16-2;/h4-11,18H,3H2,1-2H3;1H4/b19-16+,20-17+;
InChIKeySFJARZCFVVZUIR-DRLRJYAMSA-N
XLogP5.88
TPSA61.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.38
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(ethyldiazenyl)phenyl]-4-(methyldiazenyl)aniline;methane?
The IUPAC name of N-[4-(ethyldiazenyl)phenyl]-4-(methyldiazenyl)aniline;methane (CID 160819613) is N-[4-(ethyldiazenyl)phenyl]-4-(methyldiazenyl)aniline;methane.
What is the SMILES notation for N-[4-(ethyldiazenyl)phenyl]-4-(methyldiazenyl)aniline;methane?
The canonical SMILES for N-[4-(ethyldiazenyl)phenyl]-4-(methyldiazenyl)aniline;methane is C.CC/N=N/c1ccc(Nc2ccc(/N=N/C)cc2)cc1.
What is the InChIKey of N-[4-(ethyldiazenyl)phenyl]-4-(methyldiazenyl)aniline;methane?
The InChIKey is SFJARZCFVVZUIR-DRLRJYAMSA-N. The full InChI is InChI=1S/C15H17N5.CH4/c1-3-17-20-15-10-6-13(7-11-15)18-12-4-8-14(9-5-12)19-16-2;/h4-11,18H,3H2,1-2H3;1H4/b19-16+,20-17+;.
What are the key properties of N-[4-(ethyldiazenyl)phenyl]-4-(methyldiazenyl)aniline;methane?
N-[4-(ethyldiazenyl)phenyl]-4-(methyldiazenyl)aniline;methane has a molecular weight of 283.38 g/mol, XLogP of 5.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethyldiazenyl)phenyl]-4-(methyldiazenyl)aniline;methane is sourced from PubChem (CID 160819613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).