N,N-diethyl-4-[[4-(methylideneamino)phenyl]diazenyl]aniline

C17H20N4 — CID 140607759

IUPACN,N-diethyl-4-[[4-(methylideneamino)phenyl]diazenyl]aniline
SMILESC=Nc1ccc(/N=N/c2ccc(N(CC)CC)cc2)cc1
InChIInChI=1S/C17H20N4/c1-4-21(5-2)17-12-10-16(11-13-17)20-19-15-8-6-14(18-3)7-9-15/h6-13H,3-5H2,1-2H3/b20-19+
InChIKeyINBMHTIGCXPFJJ-FMQUCBEESA-N
MW280.38 g/mol
LogP5.28
Rot. Bonds6

About N,N-diethyl-4-[[4-(methylideneamino)phenyl]diazenyl]aniline

N,N-diethyl-4-[[4-(methylideneamino)phenyl]diazenyl]aniline (PubChem CID 140607759) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is N,N-diethyl-4-[[4-(methylideneamino)phenyl]diazenyl]aniline.

Molecular Properties

Compound NameN,N-diethyl-4-[[4-(methylideneamino)phenyl]diazenyl]aniline
PubChem CID140607759
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC NameN,N-diethyl-4-[[4-(methylideneamino)phenyl]diazenyl]aniline
SMILESC=Nc1ccc(/N=N/c2ccc(N(CC)CC)cc2)cc1
InChIInChI=1S/C17H20N4/c1-4-21(5-2)17-12-10-16(11-13-17)20-19-15-8-6-14(18-3)7-9-15/h6-13H,3-5H2,1-2H3/b20-19+
InChIKeyINBMHTIGCXPFJJ-FMQUCBEESA-N
XLogP5.28
TPSA40.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.38
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-4-[[4-(pyridin-4-yldiazenyl)phenyl]diazenyl]aniline
CID 153313292
N,N-diethyl-4-[(4-methoxyphenyl)diazenyl]aniline
CID 10589059
N,N-diethyl-4-[[4-(pentafluoro-λ6-sulfanyl)phenyl]diazenyl]aniline
CID 122360924
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837
N,N-diethyl-4-[(2,4,6-trichlorophenyl)diazenyl]aniline
CID 86120497
(N-ethyl-4-phenyldiazenylanilino)methanol
CID 59882366
methyl 4-[[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]diazenyl]benzoate
CID 134310378
2-[N-ethyl-4-[[4-[4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]phenyl]sulfanylphenyl]diazenyl]anilino]ethanol
CID 102049909
3-[4-[[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]diazenyl]phenyl]prop-2-ynenitrile
CID 22956806
2-[[4-(diethylamino)phenyl]diazenyl]benzene-1,3,5-tricarbonitrile
CID 71443433
5-[[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]diazenyl]-2-hydroxybenzoic acid
CID 136609205

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[4-(methylideneamino)phenyl]diazenyl]aniline?
The IUPAC name of N,N-diethyl-4-[[4-(methylideneamino)phenyl]diazenyl]aniline (CID 140607759) is N,N-diethyl-4-[[4-(methylideneamino)phenyl]diazenyl]aniline.
What is the SMILES notation for N,N-diethyl-4-[[4-(methylideneamino)phenyl]diazenyl]aniline?
The canonical SMILES for N,N-diethyl-4-[[4-(methylideneamino)phenyl]diazenyl]aniline is C=Nc1ccc(/N=N/c2ccc(N(CC)CC)cc2)cc1.
What is the InChIKey of N,N-diethyl-4-[[4-(methylideneamino)phenyl]diazenyl]aniline?
The InChIKey is INBMHTIGCXPFJJ-FMQUCBEESA-N. The full InChI is InChI=1S/C17H20N4/c1-4-21(5-2)17-12-10-16(11-13-17)20-19-15-8-6-14(18-3)7-9-15/h6-13H,3-5H2,1-2H3/b20-19+.
What are the key properties of N,N-diethyl-4-[[4-(methylideneamino)phenyl]diazenyl]aniline?
N,N-diethyl-4-[[4-(methylideneamino)phenyl]diazenyl]aniline has a molecular weight of 280.38 g/mol, XLogP of 5.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[4-(methylideneamino)phenyl]diazenyl]aniline is sourced from PubChem (CID 140607759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).