4-N,4-N-diethyl-1-N-methyl-1-N-[(Z)-[(E)-2-[2-(methylamino)phenyl]but-2-enylidene]amino]benzene-1,4-diamine

C22H30N4 — CID 143569061

IUPAC4-N,4-N-diethyl-1-N-methyl-1-N-[(Z)-[(E)-2-[2-(methylamino)phenyl]but-2-enylidene]amino]benzene-1,4-diamine
SMILESC/C=C(/C=N\N(C)c1ccc(N(CC)CC)cc1)c1ccccc1NC
InChIInChI=1S/C22H30N4/c1-6-18(21-11-9-10-12-22(21)23-4)17-24-25(5)19-13-15-20(16-14-19)26(7-2)8-3/h6,9-17,23H,7-8H2,1-5H3/b18-6-,24-17-
InChIKeyCHVHBXIVVSGIKL-KTKBJFDLSA-N
MW350.51 g/mol
LogP5.10
Rot. Bonds8

About 4-N,4-N-diethyl-1-N-methyl-1-N-[(Z)-[(E)-2-[2-(methylamino)phenyl]but-2-enylidene]amino]benzene-1,4-diamine

4-N,4-N-diethyl-1-N-methyl-1-N-[(Z)-[(E)-2-[2-(methylamino)phenyl]but-2-enylidene]amino]benzene-1,4-diamine (PubChem CID 143569061) has the molecular formula C22H30N4 and a molecular weight of 350.51 g/mol. Its IUPAC name is 4-N,4-N-diethyl-1-N-methyl-1-N-[(Z)-[(E)-2-[2-(methylamino)phenyl]but-2-enylidene]amino]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-1-N-methyl-1-N-[(Z)-[(E)-2-[2-(methylamino)phenyl]but-2-enylidene]amino]benzene-1,4-diamine
PubChem CID143569061
Molecular FormulaC22H30N4
Molecular Weight350.51 g/mol
Exact Mass350.25
IUPAC Name4-N,4-N-diethyl-1-N-methyl-1-N-[(Z)-[(E)-2-[2-(methylamino)phenyl]but-2-enylidene]amino]benzene-1,4-diamine
SMILESC/C=C(/C=N\N(C)c1ccc(N(CC)CC)cc1)c1ccccc1NC
InChIInChI=1S/C22H30N4/c1-6-18(21-11-9-10-12-22(21)23-4)17-24-25(5)19-13-15-20(16-14-19)26(7-2)8-3/h6,9-17,23H,7-8H2,1-5H3/b18-6-,24-17-
InChIKeyCHVHBXIVVSGIKL-KTKBJFDLSA-N
XLogP5.10
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.51
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-N,4-N-diethyl-1-N-[(E)-ethylideneamino]-1-N-methylbenzene-1,4-diamine
CID 143569035
N,N-diethyl-4-[[methyl(phenyl)hydrazinylidene]methyl]aniline
CID 54333940
2-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]-N-methylaniline
CID 90734970
2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-methylaniline
CID 145370684
5-(diethylamino)-2-[(E)-[methyl(phenyl)hydrazinylidene]methyl]phenol
CID 135621779
2-[4-(diethylamino)anilino]benzoic acid
CID 63539200
4-N,4-N-diethyl-1-N-methyl-1-N-[(1-methylquinolin-1-ium-4-yl)methylideneamino]benzene-1,4-diamine
CID 66700835
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
N-methyl-2-[(2E)-2-[methyl(phenyl)hydrazinylidene]ethoxy]aniline
CID 143578012
N-methyl-2-[(2E)-2-[methyl(phenyl)hydrazinylidene]ethyl]sulfanylaniline
CID 143578002
N,N-diethylaniline
CID 7061
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-1-N-methyl-1-N-[(Z)-[(E)-2-[2-(methylamino)phenyl]but-2-enylidene]amino]benzene-1,4-diamine?
The IUPAC name of 4-N,4-N-diethyl-1-N-methyl-1-N-[(Z)-[(E)-2-[2-(methylamino)phenyl]but-2-enylidene]amino]benzene-1,4-diamine (CID 143569061) is 4-N,4-N-diethyl-1-N-methyl-1-N-[(Z)-[(E)-2-[2-(methylamino)phenyl]but-2-enylidene]amino]benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-1-N-methyl-1-N-[(Z)-[(E)-2-[2-(methylamino)phenyl]but-2-enylidene]amino]benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-diethyl-1-N-methyl-1-N-[(Z)-[(E)-2-[2-(methylamino)phenyl]but-2-enylidene]amino]benzene-1,4-diamine is C/C=C(/C=N\N(C)c1ccc(N(CC)CC)cc1)c1ccccc1NC.
What is the InChIKey of 4-N,4-N-diethyl-1-N-methyl-1-N-[(Z)-[(E)-2-[2-(methylamino)phenyl]but-2-enylidene]amino]benzene-1,4-diamine?
The InChIKey is CHVHBXIVVSGIKL-KTKBJFDLSA-N. The full InChI is InChI=1S/C22H30N4/c1-6-18(21-11-9-10-12-22(21)23-4)17-24-25(5)19-13-15-20(16-14-19)26(7-2)8-3/h6,9-17,23H,7-8H2,1-5H3/b18-6-,24-17-.
What are the key properties of 4-N,4-N-diethyl-1-N-methyl-1-N-[(Z)-[(E)-2-[2-(methylamino)phenyl]but-2-enylidene]amino]benzene-1,4-diamine?
4-N,4-N-diethyl-1-N-methyl-1-N-[(Z)-[(E)-2-[2-(methylamino)phenyl]but-2-enylidene]amino]benzene-1,4-diamine has a molecular weight of 350.51 g/mol, XLogP of 5.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-1-N-methyl-1-N-[(Z)-[(E)-2-[2-(methylamino)phenyl]but-2-enylidene]amino]benzene-1,4-diamine is sourced from PubChem (CID 143569061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).