N-ethyl-3-[[3-(ethylamino)phenyl]diazenyl]aniline

C16H20N4 — CID 3777935

IUPACN-ethyl-3-[[3-(ethylamino)phenyl]diazenyl]aniline
SMILESCCNc1cccc(/N=N/c2cccc(NCC)c2)c1
InChIInChI=1S/C16H20N4/c1-3-17-13-7-5-9-15(11-13)19-20-16-10-6-8-14(12-16)18-4-2/h5-12,17-18H,3-4H2,1-2H3/b20-19+
InChIKeyFSCMOLNACICFIV-FMQUCBEESA-N
MW268.36 g/mol
LogP4.97
Rot. Bonds6

About N-ethyl-3-[[3-(ethylamino)phenyl]diazenyl]aniline

N-ethyl-3-[[3-(ethylamino)phenyl]diazenyl]aniline (PubChem CID 3777935) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-ethyl-3-[[3-(ethylamino)phenyl]diazenyl]aniline.

Molecular Properties

Compound NameN-ethyl-3-[[3-(ethylamino)phenyl]diazenyl]aniline
PubChem CID3777935
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC NameN-ethyl-3-[[3-(ethylamino)phenyl]diazenyl]aniline
SMILESCCNc1cccc(/N=N/c2cccc(NCC)c2)c1
InChIInChI=1S/C16H20N4/c1-3-17-13-7-5-9-15(11-13)19-20-16-10-6-8-14(12-16)18-4-2/h5-12,17-18H,3-4H2,1-2H3/b20-19+
InChIKeyFSCMOLNACICFIV-FMQUCBEESA-N
XLogP4.97
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-(methoxymethyl)-3-phenyldiazenylaniline
CID 23618912
3-(ethylamino)phenol
CID 578991
magnesium;N-ethylaniline;dibromide
CID 175384218
ethane;N-ethyl-3-methoxyaniline
CID 142222302
1-N,3-N,3-N-triethylbenzene-1,3-diamine
CID 67930616
N-ethyl-3-methylaniline;sulfuric acid
CID 161001051
N-ethyl-3-morpholin-4-ylaniline
CID 22605665
1-[4-[[4-[[4-(ethylamino)phenyl]diazenyl]phenyl]diazenyl]phenyl]ethanone
CID 134216733
N-ethyl-3-(2-methoxyethyl)aniline
CID 151111867
N-ethylaniline;formamide
CID 174905180
bis(N-ethylaniline);sulfuric acid
CID 172710683
N-ethylaniline;propanedioic acid
CID 67742199

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[3-(ethylamino)phenyl]diazenyl]aniline?
The IUPAC name of N-ethyl-3-[[3-(ethylamino)phenyl]diazenyl]aniline (CID 3777935) is N-ethyl-3-[[3-(ethylamino)phenyl]diazenyl]aniline.
What is the SMILES notation for N-ethyl-3-[[3-(ethylamino)phenyl]diazenyl]aniline?
The canonical SMILES for N-ethyl-3-[[3-(ethylamino)phenyl]diazenyl]aniline is CCNc1cccc(/N=N/c2cccc(NCC)c2)c1.
What is the InChIKey of N-ethyl-3-[[3-(ethylamino)phenyl]diazenyl]aniline?
The InChIKey is FSCMOLNACICFIV-FMQUCBEESA-N. The full InChI is InChI=1S/C16H20N4/c1-3-17-13-7-5-9-15(11-13)19-20-16-10-6-8-14(12-16)18-4-2/h5-12,17-18H,3-4H2,1-2H3/b20-19+.
What are the key properties of N-ethyl-3-[[3-(ethylamino)phenyl]diazenyl]aniline?
N-ethyl-3-[[3-(ethylamino)phenyl]diazenyl]aniline has a molecular weight of 268.36 g/mol, XLogP of 4.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[3-(ethylamino)phenyl]diazenyl]aniline is sourced from PubChem (CID 3777935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).