4-[2-(1-formyl-2,2,6,6-tetramethylpiperidin-4-yl)iminohexylideneamino]-2,2,6,6-tetramethylpiperidine-1-carbaldehyde

C26H46N4O2 — CID 18363587

IUPAC4-[2-(1-formyl-2,2,6,6-tetramethylpiperidin-4-yl)iminohexylideneamino]-2,2,6,6-tetramethylpiperidine-1-carbaldehyde
SMILESCCCCC(/C=N/C1CC(C)(C)N(C=O)C(C)(C)C1)=N\C1CC(C)(C)N(C=O)C(C)(C)C1
InChIInChI=1S/C26H46N4O2/c1-10-11-12-20(28-22-15-25(6,7)30(19-32)26(8,9)16-22)17-27-21-13-23(2,3)29(18-31)24(4,5)14-21/h17-19,21-22H,10-16H2,1-9H3/b27-17+,28-20+
InChIKeyZUUSRABNAGKGQP-JUZHGAENSA-N
MW446.68 g/mol
LogP5.04
Rot. Bonds8

About 4-[2-(1-formyl-2,2,6,6-tetramethylpiperidin-4-yl)iminohexylideneamino]-2,2,6,6-tetramethylpiperidine-1-carbaldehyde

4-[2-(1-formyl-2,2,6,6-tetramethylpiperidin-4-yl)iminohexylideneamino]-2,2,6,6-tetramethylpiperidine-1-carbaldehyde (PubChem CID 18363587) has the molecular formula C26H46N4O2 and a molecular weight of 446.68 g/mol. Its IUPAC name is 4-[2-(1-formyl-2,2,6,6-tetramethylpiperidin-4-yl)iminohexylideneamino]-2,2,6,6-tetramethylpiperidine-1-carbaldehyde.

Molecular Properties

Compound Name4-[2-(1-formyl-2,2,6,6-tetramethylpiperidin-4-yl)iminohexylideneamino]-2,2,6,6-tetramethylpiperidine-1-carbaldehyde
PubChem CID18363587
Molecular FormulaC26H46N4O2
Molecular Weight446.68 g/mol
Exact Mass446.36
IUPAC Name4-[2-(1-formyl-2,2,6,6-tetramethylpiperidin-4-yl)iminohexylideneamino]-2,2,6,6-tetramethylpiperidine-1-carbaldehyde
SMILESCCCCC(/C=N/C1CC(C)(C)N(C=O)C(C)(C)C1)=N\C1CC(C)(C)N(C=O)C(C)(C)C1
InChIInChI=1S/C26H46N4O2/c1-10-11-12-20(28-22-15-25(6,7)30(19-32)26(8,9)16-22)17-27-21-13-23(2,3)29(18-31)24(4,5)14-21/h17-19,21-22H,10-16H2,1-9H3/b27-17+,28-20+
InChIKeyZUUSRABNAGKGQP-JUZHGAENSA-N
XLogP5.04
TPSA65.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.68
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-formyl-2,2,6,6-tetramethylpiperidin-4-yl)iminohexylideneamino]-2,2,6,6-tetramethylpiperidine-1-carbaldehyde?
The IUPAC name of 4-[2-(1-formyl-2,2,6,6-tetramethylpiperidin-4-yl)iminohexylideneamino]-2,2,6,6-tetramethylpiperidine-1-carbaldehyde (CID 18363587) is 4-[2-(1-formyl-2,2,6,6-tetramethylpiperidin-4-yl)iminohexylideneamino]-2,2,6,6-tetramethylpiperidine-1-carbaldehyde.
What is the SMILES notation for 4-[2-(1-formyl-2,2,6,6-tetramethylpiperidin-4-yl)iminohexylideneamino]-2,2,6,6-tetramethylpiperidine-1-carbaldehyde?
The canonical SMILES for 4-[2-(1-formyl-2,2,6,6-tetramethylpiperidin-4-yl)iminohexylideneamino]-2,2,6,6-tetramethylpiperidine-1-carbaldehyde is CCCCC(/C=N/C1CC(C)(C)N(C=O)C(C)(C)C1)=N\C1CC(C)(C)N(C=O)C(C)(C)C1.
What is the InChIKey of 4-[2-(1-formyl-2,2,6,6-tetramethylpiperidin-4-yl)iminohexylideneamino]-2,2,6,6-tetramethylpiperidine-1-carbaldehyde?
The InChIKey is ZUUSRABNAGKGQP-JUZHGAENSA-N. The full InChI is InChI=1S/C26H46N4O2/c1-10-11-12-20(28-22-15-25(6,7)30(19-32)26(8,9)16-22)17-27-21-13-23(2,3)29(18-31)24(4,5)14-21/h17-19,21-22H,10-16H2,1-9H3/b27-17+,28-20+.
What are the key properties of 4-[2-(1-formyl-2,2,6,6-tetramethylpiperidin-4-yl)iminohexylideneamino]-2,2,6,6-tetramethylpiperidine-1-carbaldehyde?
4-[2-(1-formyl-2,2,6,6-tetramethylpiperidin-4-yl)iminohexylideneamino]-2,2,6,6-tetramethylpiperidine-1-carbaldehyde has a molecular weight of 446.68 g/mol, XLogP of 5.04, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-formyl-2,2,6,6-tetramethylpiperidin-4-yl)iminohexylideneamino]-2,2,6,6-tetramethylpiperidine-1-carbaldehyde is sourced from PubChem (CID 18363587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).