4-[1-(2,2-dimethylhydrazinyl)-2,2,5-trimethylhexan-3-yl]-N-(4-fluorophenyl)-2-methanimidoylaniline

C24H35FN4 — CID 143670872

IUPAC4-[1-(2,2-dimethylhydrazinyl)-2,2,5-trimethylhexan-3-yl]-N-(4-fluorophenyl)-2-methanimidoylaniline
SMILES[H]/N=C/c1cc(C(CC(C)C)C(C)(C)CNN(C)C)ccc1Nc1ccc(F)cc1
InChIInChI=1S/C24H35FN4/c1-17(2)13-22(24(3,4)16-27-29(5)6)18-7-12-23(19(14-18)15-26)28-21-10-8-20(25)9-11-21/h7-12,14-15,17,22,26-28H,13,16H2,1-6H3/b26-15+
InChIKeyGYXBVFJDWOEILF-CVKSISIWSA-N
MW398.57 g/mol
LogP5.79
Rot. Bonds10

About 4-[1-(2,2-dimethylhydrazinyl)-2,2,5-trimethylhexan-3-yl]-N-(4-fluorophenyl)-2-methanimidoylaniline

4-[1-(2,2-dimethylhydrazinyl)-2,2,5-trimethylhexan-3-yl]-N-(4-fluorophenyl)-2-methanimidoylaniline (PubChem CID 143670872) has the molecular formula C24H35FN4 and a molecular weight of 398.57 g/mol. Its IUPAC name is 4-[1-(2,2-dimethylhydrazinyl)-2,2,5-trimethylhexan-3-yl]-N-(4-fluorophenyl)-2-methanimidoylaniline.

Molecular Properties

Compound Name4-[1-(2,2-dimethylhydrazinyl)-2,2,5-trimethylhexan-3-yl]-N-(4-fluorophenyl)-2-methanimidoylaniline
PubChem CID143670872
Molecular FormulaC24H35FN4
Molecular Weight398.57 g/mol
Exact Mass398.28
IUPAC Name4-[1-(2,2-dimethylhydrazinyl)-2,2,5-trimethylhexan-3-yl]-N-(4-fluorophenyl)-2-methanimidoylaniline
SMILES[H]/N=C/c1cc(C(CC(C)C)C(C)(C)CNN(C)C)ccc1Nc1ccc(F)cc1
InChIInChI=1S/C24H35FN4/c1-17(2)13-22(24(3,4)16-27-29(5)6)18-7-12-23(19(14-18)15-26)28-21-10-8-20(25)9-11-21/h7-12,14-15,17,22,26-28H,13,16H2,1-6H3/b26-15+
InChIKeyGYXBVFJDWOEILF-CVKSISIWSA-N
XLogP5.79
TPSA51.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.57
LogP ≤ 55.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,2-dimethylhydrazinyl)-2,2,5-trimethylhexan-3-yl]-N-(4-fluorophenyl)-2-methanimidoylaniline?
The IUPAC name of 4-[1-(2,2-dimethylhydrazinyl)-2,2,5-trimethylhexan-3-yl]-N-(4-fluorophenyl)-2-methanimidoylaniline (CID 143670872) is 4-[1-(2,2-dimethylhydrazinyl)-2,2,5-trimethylhexan-3-yl]-N-(4-fluorophenyl)-2-methanimidoylaniline.
What is the SMILES notation for 4-[1-(2,2-dimethylhydrazinyl)-2,2,5-trimethylhexan-3-yl]-N-(4-fluorophenyl)-2-methanimidoylaniline?
The canonical SMILES for 4-[1-(2,2-dimethylhydrazinyl)-2,2,5-trimethylhexan-3-yl]-N-(4-fluorophenyl)-2-methanimidoylaniline is [H]/N=C/c1cc(C(CC(C)C)C(C)(C)CNN(C)C)ccc1Nc1ccc(F)cc1.
What is the InChIKey of 4-[1-(2,2-dimethylhydrazinyl)-2,2,5-trimethylhexan-3-yl]-N-(4-fluorophenyl)-2-methanimidoylaniline?
The InChIKey is GYXBVFJDWOEILF-CVKSISIWSA-N. The full InChI is InChI=1S/C24H35FN4/c1-17(2)13-22(24(3,4)16-27-29(5)6)18-7-12-23(19(14-18)15-26)28-21-10-8-20(25)9-11-21/h7-12,14-15,17,22,26-28H,13,16H2,1-6H3/b26-15+.
What are the key properties of 4-[1-(2,2-dimethylhydrazinyl)-2,2,5-trimethylhexan-3-yl]-N-(4-fluorophenyl)-2-methanimidoylaniline?
4-[1-(2,2-dimethylhydrazinyl)-2,2,5-trimethylhexan-3-yl]-N-(4-fluorophenyl)-2-methanimidoylaniline has a molecular weight of 398.57 g/mol, XLogP of 5.79, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,2-dimethylhydrazinyl)-2,2,5-trimethylhexan-3-yl]-N-(4-fluorophenyl)-2-methanimidoylaniline is sourced from PubChem (CID 143670872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).