2-N-[(2E)-2-[(4-anilinophenyl)-methylhydrazinylidene]propyl]-1-N,2-N-dimethylbenzene-1,2-diamine

C24H29N5 — CID 143565750

IUPAC2-N-[(2E)-2-[(4-anilinophenyl)-methylhydrazinylidene]propyl]-1-N,2-N-dimethylbenzene-1,2-diamine
SMILESCNc1ccccc1N(C)C/C(C)=N/N(C)c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C24H29N5/c1-19(18-28(3)24-13-9-8-12-23(24)25-2)27-29(4)22-16-14-21(15-17-22)26-20-10-6-5-7-11-20/h5-17,25-26H,18H2,1-4H3/b27-19+
InChIKeyXVHKUYKSBSARRR-ZXVVBBHZSA-N
MW387.53 g/mol
LogP5.42
Rot. Bonds8

About 2-N-[(2E)-2-[(4-anilinophenyl)-methylhydrazinylidene]propyl]-1-N,2-N-dimethylbenzene-1,2-diamine

2-N-[(2E)-2-[(4-anilinophenyl)-methylhydrazinylidene]propyl]-1-N,2-N-dimethylbenzene-1,2-diamine (PubChem CID 143565750) has the molecular formula C24H29N5 and a molecular weight of 387.53 g/mol. Its IUPAC name is 2-N-[(2E)-2-[(4-anilinophenyl)-methylhydrazinylidene]propyl]-1-N,2-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[(2E)-2-[(4-anilinophenyl)-methylhydrazinylidene]propyl]-1-N,2-N-dimethylbenzene-1,2-diamine
PubChem CID143565750
Molecular FormulaC24H29N5
Molecular Weight387.53 g/mol
Exact Mass387.24
IUPAC Name2-N-[(2E)-2-[(4-anilinophenyl)-methylhydrazinylidene]propyl]-1-N,2-N-dimethylbenzene-1,2-diamine
SMILESCNc1ccccc1N(C)C/C(C)=N/N(C)c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C24H29N5/c1-19(18-28(3)24-13-9-8-12-23(24)25-2)27-29(4)22-16-14-21(15-17-22)26-20-10-6-5-7-11-20/h5-17,25-26H,18H2,1-4H3/b27-19+
InChIKeyXVHKUYKSBSARRR-ZXVVBBHZSA-N
XLogP5.42
TPSA42.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.53
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-[[(2E)-2-[(4-anilinophenyl)-methylhydrazinylidene]propyl]-methylamino]phenyl]-methylazanium
CID 143565749
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
4-(4-anilino-N-methylanilino)phenol
CID 143031995
ethyl (2Z)-2-[[4-(benzylamino)phenyl]-methylhydrazinylidene]-3-[N-methyl-2-(methylamino)anilino]but-3-enoate
CID 143565700
ethane;1-N,4-N,4-N-triphenylbenzene-1,4-diamine
CID 91177685
1-N,2-N,2-N-trimethylbenzene-1,2-diamine
CID 533455
1-N,2-N-dimethyl-2-N-[2-(methylamino)phenyl]benzene-1,2-diamine
CID 22968799
N-methyl-N-[(E)-4-phenylbutan-2-ylideneamino]aniline
CID 15442579
1-[4-anilino-N-(2-hydroxypropyl)anilino]propan-2-ol
CID 71372983
4-N,4-N-diphenyl-1-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;ethane
CID 145125987
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
2-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]-N-methylaniline
CID 90734970

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2E)-2-[(4-anilinophenyl)-methylhydrazinylidene]propyl]-1-N,2-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 2-N-[(2E)-2-[(4-anilinophenyl)-methylhydrazinylidene]propyl]-1-N,2-N-dimethylbenzene-1,2-diamine (CID 143565750) is 2-N-[(2E)-2-[(4-anilinophenyl)-methylhydrazinylidene]propyl]-1-N,2-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-[(2E)-2-[(4-anilinophenyl)-methylhydrazinylidene]propyl]-1-N,2-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 2-N-[(2E)-2-[(4-anilinophenyl)-methylhydrazinylidene]propyl]-1-N,2-N-dimethylbenzene-1,2-diamine is CNc1ccccc1N(C)C/C(C)=N/N(C)c1ccc(Nc2ccccc2)cc1.
What is the InChIKey of 2-N-[(2E)-2-[(4-anilinophenyl)-methylhydrazinylidene]propyl]-1-N,2-N-dimethylbenzene-1,2-diamine?
The InChIKey is XVHKUYKSBSARRR-ZXVVBBHZSA-N. The full InChI is InChI=1S/C24H29N5/c1-19(18-28(3)24-13-9-8-12-23(24)25-2)27-29(4)22-16-14-21(15-17-22)26-20-10-6-5-7-11-20/h5-17,25-26H,18H2,1-4H3/b27-19+.
What are the key properties of 2-N-[(2E)-2-[(4-anilinophenyl)-methylhydrazinylidene]propyl]-1-N,2-N-dimethylbenzene-1,2-diamine?
2-N-[(2E)-2-[(4-anilinophenyl)-methylhydrazinylidene]propyl]-1-N,2-N-dimethylbenzene-1,2-diamine has a molecular weight of 387.53 g/mol, XLogP of 5.42, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2E)-2-[(4-anilinophenyl)-methylhydrazinylidene]propyl]-1-N,2-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 143565750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).