[2-[[(2E)-2-[(4-anilinophenyl)-methylhydrazinylidene]propyl]-methylamino]phenyl]-methylazanium

C24H30N5+ — CID 143565749

IUPAC[2-[[(2E)-2-[(4-anilinophenyl)-methylhydrazinylidene]propyl]-methylamino]phenyl]-methylazanium
SMILESC[NH2+]c1ccccc1N(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/p+1/b27-19+
InChIKeyXVHKUYKSBSARRR-ZXVVBBHZSA-O
MW388.54 g/mol
LogP4.20
Rot. Bonds8

About [2-[[(2E)-2-[(4-anilinophenyl)-methylhydrazinylidene]propyl]-methylamino]phenyl]-methylazanium

[2-[[(2E)-2-[(4-anilinophenyl)-methylhydrazinylidene]propyl]-methylamino]phenyl]-methylazanium (PubChem CID 143565749) has the molecular formula C24H30N5+ and a molecular weight of 388.54 g/mol. Its IUPAC name is [2-[[(2E)-2-[(4-anilinophenyl)-methylhydrazinylidene]propyl]-methylamino]phenyl]-methylazanium.

Molecular Properties

Compound Name[2-[[(2E)-2-[(4-anilinophenyl)-methylhydrazinylidene]propyl]-methylamino]phenyl]-methylazanium
PubChem CID143565749
Molecular FormulaC24H30N5+
Molecular Weight388.54 g/mol
Exact Mass388.25
IUPAC Name[2-[[(2E)-2-[(4-anilinophenyl)-methylhydrazinylidene]propyl]-methylamino]phenyl]-methylazanium
SMILESC[NH2+]c1ccccc1N(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/p+1/b27-19+
InChIKeyXVHKUYKSBSARRR-ZXVVBBHZSA-O
XLogP4.20
TPSA47.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[[(2E)-2-[(4-anilinophenyl)-methylhydrazinylidene]propyl]-methylamino]phenyl]-methylazanium?
The IUPAC name of [2-[[(2E)-2-[(4-anilinophenyl)-methylhydrazinylidene]propyl]-methylamino]phenyl]-methylazanium (CID 143565749) is [2-[[(2E)-2-[(4-anilinophenyl)-methylhydrazinylidene]propyl]-methylamino]phenyl]-methylazanium.
What is the SMILES notation for [2-[[(2E)-2-[(4-anilinophenyl)-methylhydrazinylidene]propyl]-methylamino]phenyl]-methylazanium?
The canonical SMILES for [2-[[(2E)-2-[(4-anilinophenyl)-methylhydrazinylidene]propyl]-methylamino]phenyl]-methylazanium is C[NH2+]c1ccccc1N(C)C/C(C)=N/N(C)c1ccc(Nc2ccccc2)cc1.
What is the InChIKey of [2-[[(2E)-2-[(4-anilinophenyl)-methylhydrazinylidene]propyl]-methylamino]phenyl]-methylazanium?
The InChIKey is XVHKUYKSBSARRR-ZXVVBBHZSA-O. 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/p+1/b27-19+.
What are the key properties of [2-[[(2E)-2-[(4-anilinophenyl)-methylhydrazinylidene]propyl]-methylamino]phenyl]-methylazanium?
[2-[[(2E)-2-[(4-anilinophenyl)-methylhydrazinylidene]propyl]-methylamino]phenyl]-methylazanium has a molecular weight of 388.54 g/mol, XLogP of 4.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2E)-2-[(4-anilinophenyl)-methylhydrazinylidene]propyl]-methylamino]phenyl]-methylazanium is sourced from PubChem (CID 143565749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).