1-tert-butyl-2-[(2E,4Z,6E)-7-fluoro-5-(3-piperidin-1-ylpropyl)octa-2,4,6-trienyl]-2-methyl-1-propylhydrazine

C24H44FN3 — CID 166907304

IUPAC1-tert-butyl-2-[(2E,4Z,6E)-7-fluoro-5-(3-piperidin-1-ylpropyl)octa-2,4,6-trienyl]-2-methyl-1-propylhydrazine
SMILESCCCN(N(C)C/C=C/C=C(\C=C(/C)F)CCCN1CCCCC1)C(C)(C)C
InChIInChI=1S/C24H44FN3/c1-7-16-28(24(3,4)5)26(6)17-12-9-14-23(21-22(2)25)15-13-20-27-18-10-8-11-19-27/h9,12,14,21H,7-8,10-11,13,15-20H2,1-6H3/b12-9+,22-21+,23-14-
InChIKeyACAMDAZJJXNSEA-CLQBRRPBSA-N
MW393.64 g/mol
LogP5.97
Rot. Bonds11

About 1-tert-butyl-2-[(2E,4Z,6E)-7-fluoro-5-(3-piperidin-1-ylpropyl)octa-2,4,6-trienyl]-2-methyl-1-propylhydrazine

1-tert-butyl-2-[(2E,4Z,6E)-7-fluoro-5-(3-piperidin-1-ylpropyl)octa-2,4,6-trienyl]-2-methyl-1-propylhydrazine (PubChem CID 166907304) has the molecular formula C24H44FN3 and a molecular weight of 393.64 g/mol. Its IUPAC name is 1-tert-butyl-2-[(2E,4Z,6E)-7-fluoro-5-(3-piperidin-1-ylpropyl)octa-2,4,6-trienyl]-2-methyl-1-propylhydrazine.

Molecular Properties

Compound Name1-tert-butyl-2-[(2E,4Z,6E)-7-fluoro-5-(3-piperidin-1-ylpropyl)octa-2,4,6-trienyl]-2-methyl-1-propylhydrazine
PubChem CID166907304
Molecular FormulaC24H44FN3
Molecular Weight393.64 g/mol
Exact Mass393.35
IUPAC Name1-tert-butyl-2-[(2E,4Z,6E)-7-fluoro-5-(3-piperidin-1-ylpropyl)octa-2,4,6-trienyl]-2-methyl-1-propylhydrazine
SMILESCCCN(N(C)C/C=C/C=C(\C=C(/C)F)CCCN1CCCCC1)C(C)(C)C
InChIInChI=1S/C24H44FN3/c1-7-16-28(24(3,4)5)26(6)17-12-9-14-23(21-22(2)25)15-13-20-27-18-10-8-11-19-27/h9,12,14,21H,7-8,10-11,13,15-20H2,1-6H3/b12-9+,22-21+,23-14-
InChIKeyACAMDAZJJXNSEA-CLQBRRPBSA-N
XLogP5.97
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.64
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-[(2E,4Z,6E)-7-fluoro-5-(3-piperidin-1-ylpropyl)octa-2,4,6-trienyl]-2-methyl-1-propylhydrazine?
The IUPAC name of 1-tert-butyl-2-[(2E,4Z,6E)-7-fluoro-5-(3-piperidin-1-ylpropyl)octa-2,4,6-trienyl]-2-methyl-1-propylhydrazine (CID 166907304) is 1-tert-butyl-2-[(2E,4Z,6E)-7-fluoro-5-(3-piperidin-1-ylpropyl)octa-2,4,6-trienyl]-2-methyl-1-propylhydrazine.
What is the SMILES notation for 1-tert-butyl-2-[(2E,4Z,6E)-7-fluoro-5-(3-piperidin-1-ylpropyl)octa-2,4,6-trienyl]-2-methyl-1-propylhydrazine?
The canonical SMILES for 1-tert-butyl-2-[(2E,4Z,6E)-7-fluoro-5-(3-piperidin-1-ylpropyl)octa-2,4,6-trienyl]-2-methyl-1-propylhydrazine is CCCN(N(C)C/C=C/C=C(\C=C(/C)F)CCCN1CCCCC1)C(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-[(2E,4Z,6E)-7-fluoro-5-(3-piperidin-1-ylpropyl)octa-2,4,6-trienyl]-2-methyl-1-propylhydrazine?
The InChIKey is ACAMDAZJJXNSEA-CLQBRRPBSA-N. The full InChI is InChI=1S/C24H44FN3/c1-7-16-28(24(3,4)5)26(6)17-12-9-14-23(21-22(2)25)15-13-20-27-18-10-8-11-19-27/h9,12,14,21H,7-8,10-11,13,15-20H2,1-6H3/b12-9+,22-21+,23-14-.
What are the key properties of 1-tert-butyl-2-[(2E,4Z,6E)-7-fluoro-5-(3-piperidin-1-ylpropyl)octa-2,4,6-trienyl]-2-methyl-1-propylhydrazine?
1-tert-butyl-2-[(2E,4Z,6E)-7-fluoro-5-(3-piperidin-1-ylpropyl)octa-2,4,6-trienyl]-2-methyl-1-propylhydrazine has a molecular weight of 393.64 g/mol, XLogP of 5.97, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-[(2E,4Z,6E)-7-fluoro-5-(3-piperidin-1-ylpropyl)octa-2,4,6-trienyl]-2-methyl-1-propylhydrazine is sourced from PubChem (CID 166907304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).