1-N-[4-(diethylamino)phenyl]-4-N-methyl-4-N-[(E)-1-[methyl-[(Z)-2-(methylamino)ethenyl]amino]propan-2-ylideneamino]benzene-1,4-diamine

C24H36N6 — CID 143565773

IUPAC1-N-[4-(diethylamino)phenyl]-4-N-methyl-4-N-[(E)-1-[methyl-[(Z)-2-(methylamino)ethenyl]amino]propan-2-ylideneamino]benzene-1,4-diamine
SMILESCCN(CC)c1ccc(Nc2ccc(N(C)/N=C(\C)CN(C)/C=C\NC)cc2)cc1
InChIInChI=1S/C24H36N6/c1-7-30(8-2)24-15-11-22(12-16-24)26-21-9-13-23(14-10-21)29(6)27-20(3)19-28(5)18-17-25-4/h9-18,25-26H,7-8,19H2,1-6H3/b18-17-,27-20+
InChIKeyTZMJYTCXUIFITH-DBMYSJMESA-N
MW408.59 g/mol
LogP4.71
Rot. Bonds11

About 1-N-[4-(diethylamino)phenyl]-4-N-methyl-4-N-[(E)-1-[methyl-[(Z)-2-(methylamino)ethenyl]amino]propan-2-ylideneamino]benzene-1,4-diamine

1-N-[4-(diethylamino)phenyl]-4-N-methyl-4-N-[(E)-1-[methyl-[(Z)-2-(methylamino)ethenyl]amino]propan-2-ylideneamino]benzene-1,4-diamine (PubChem CID 143565773) has the molecular formula C24H36N6 and a molecular weight of 408.59 g/mol. Its IUPAC name is 1-N-[4-(diethylamino)phenyl]-4-N-methyl-4-N-[(E)-1-[methyl-[(Z)-2-(methylamino)ethenyl]amino]propan-2-ylideneamino]benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-[4-(diethylamino)phenyl]-4-N-methyl-4-N-[(E)-1-[methyl-[(Z)-2-(methylamino)ethenyl]amino]propan-2-ylideneamino]benzene-1,4-diamine
PubChem CID143565773
Molecular FormulaC24H36N6
Molecular Weight408.59 g/mol
Exact Mass408.30
IUPAC Name1-N-[4-(diethylamino)phenyl]-4-N-methyl-4-N-[(E)-1-[methyl-[(Z)-2-(methylamino)ethenyl]amino]propan-2-ylideneamino]benzene-1,4-diamine
SMILESCCN(CC)c1ccc(Nc2ccc(N(C)/N=C(\C)CN(C)/C=C\NC)cc2)cc1
InChIInChI=1S/C24H36N6/c1-7-30(8-2)24-15-11-22(12-16-24)26-21-9-13-23(14-10-21)29(6)27-20(3)19-28(5)18-17-25-4/h9-18,25-26H,7-8,19H2,1-6H3/b18-17-,27-20+
InChIKeyTZMJYTCXUIFITH-DBMYSJMESA-N
XLogP4.71
TPSA46.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.59
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-methyl-4-N-[(E)-1-[methyl-[(Z)-2-(methylamino)ethenyl]amino]propan-2-ylideneamino]benzene-1,4-diamine
CID 143565667
[(E)-N-[4-[4-(diethylamino)anilino]-N-methylanilino]-C-ethoxycarbonylcarbonimidoyl]-[(Z)-2-(dimethylamino)ethenyl]-methylazanium;ethane
CID 143565674
ethyl (2Z)-2-[(4-aminophenyl)-methylhydrazinylidene]-3-[methyl-[(Z)-2-(methylamino)ethenyl]amino]propanoate
CID 143565604
2-N-[(2E)-2-[(4-anilinophenyl)-methylhydrazinylidene]propyl]-1-N,2-N-dimethylbenzene-1,2-diamine
CID 143565750
2-chloro-N-[4-[4-[methyl-[[methyl-[2-(methylamino)ethenyl]amino]methylamino]amino]anilino]phenyl]acetamide
CID 148992239
2-[N-(2-hydroxyethyl)-4-[methyl-[(E)-2-[methyl-[(Z)-2-(methylamino)ethenyl]amino]ethylideneamino]amino]anilino]ethanol
CID 143565589
4-N,4-N-diethyl-1-N-[(E)-ethylideneamino]-1-N-methylbenzene-1,4-diamine
CID 143569035
ethyl (2Z)-2-[[4-[(2,4-dihydroxyphenyl)methylamino]phenyl]-methylhydrazinylidene]-3-[methyl-[(Z)-2-(methylamino)ethenyl]amino]propanoate
CID 143565779
1-N-benzyl-4-N-methyl-4-N-[(E)-[(4Z,6Z)-7-(methylamino)hepta-4,6-dien-2-ylidene]amino]benzene-1,4-diamine
CID 143569041
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-(4-acetamidophenyl)-N'-[4-(diethylamino)phenyl]propanediamide
CID 108956266

Frequently Asked Questions

What is the IUPAC name of 1-N-[4-(diethylamino)phenyl]-4-N-methyl-4-N-[(E)-1-[methyl-[(Z)-2-(methylamino)ethenyl]amino]propan-2-ylideneamino]benzene-1,4-diamine?
The IUPAC name of 1-N-[4-(diethylamino)phenyl]-4-N-methyl-4-N-[(E)-1-[methyl-[(Z)-2-(methylamino)ethenyl]amino]propan-2-ylideneamino]benzene-1,4-diamine (CID 143565773) is 1-N-[4-(diethylamino)phenyl]-4-N-methyl-4-N-[(E)-1-[methyl-[(Z)-2-(methylamino)ethenyl]amino]propan-2-ylideneamino]benzene-1,4-diamine.
What is the SMILES notation for 1-N-[4-(diethylamino)phenyl]-4-N-methyl-4-N-[(E)-1-[methyl-[(Z)-2-(methylamino)ethenyl]amino]propan-2-ylideneamino]benzene-1,4-diamine?
The canonical SMILES for 1-N-[4-(diethylamino)phenyl]-4-N-methyl-4-N-[(E)-1-[methyl-[(Z)-2-(methylamino)ethenyl]amino]propan-2-ylideneamino]benzene-1,4-diamine is CCN(CC)c1ccc(Nc2ccc(N(C)/N=C(\C)CN(C)/C=C\NC)cc2)cc1.
What is the InChIKey of 1-N-[4-(diethylamino)phenyl]-4-N-methyl-4-N-[(E)-1-[methyl-[(Z)-2-(methylamino)ethenyl]amino]propan-2-ylideneamino]benzene-1,4-diamine?
The InChIKey is TZMJYTCXUIFITH-DBMYSJMESA-N. The full InChI is InChI=1S/C24H36N6/c1-7-30(8-2)24-15-11-22(12-16-24)26-21-9-13-23(14-10-21)29(6)27-20(3)19-28(5)18-17-25-4/h9-18,25-26H,7-8,19H2,1-6H3/b18-17-,27-20+.
What are the key properties of 1-N-[4-(diethylamino)phenyl]-4-N-methyl-4-N-[(E)-1-[methyl-[(Z)-2-(methylamino)ethenyl]amino]propan-2-ylideneamino]benzene-1,4-diamine?
1-N-[4-(diethylamino)phenyl]-4-N-methyl-4-N-[(E)-1-[methyl-[(Z)-2-(methylamino)ethenyl]amino]propan-2-ylideneamino]benzene-1,4-diamine has a molecular weight of 408.59 g/mol, XLogP of 4.71, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[4-(diethylamino)phenyl]-4-N-methyl-4-N-[(E)-1-[methyl-[(Z)-2-(methylamino)ethenyl]amino]propan-2-ylideneamino]benzene-1,4-diamine is sourced from PubChem (CID 143565773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).