(3Z,5E,8Z)-1-tert-butyl-9-[(1E)-3-cyclopropylbuta-1,3-dienyl]-5-fluoro-2,7-dihydroazonine

C19H26FN — CID 143968689

IUPAC(3Z,5E,8Z)-1-tert-butyl-9-[(1E)-3-cyclopropylbuta-1,3-dienyl]-5-fluoro-2,7-dihydroazonine
SMILESC=C(/C=C/C1=C/C/C=C(F)\C=C/CN1C(C)(C)C)C1CC1
InChIInChI=1S/C19H26FN/c1-15(16-11-12-16)10-13-18-9-5-7-17(20)8-6-14-21(18)19(2,3)4/h6-10,13,16H,1,5,11-12,14H2,2-4H3/b8-6-,13-10+,17-7+,18-9-
InChIKeyMTSAXYLBKWZKKU-ITNIAHLCSA-N
MW287.42 g/mol
LogP5.31
Rot. Bonds3

About (3Z,5E,8Z)-1-tert-butyl-9-[(1E)-3-cyclopropylbuta-1,3-dienyl]-5-fluoro-2,7-dihydroazonine

(3Z,5E,8Z)-1-tert-butyl-9-[(1E)-3-cyclopropylbuta-1,3-dienyl]-5-fluoro-2,7-dihydroazonine (PubChem CID 143968689) has the molecular formula C19H26FN and a molecular weight of 287.42 g/mol. Its IUPAC name is (3Z,5E,8Z)-1-tert-butyl-9-[(1E)-3-cyclopropylbuta-1,3-dienyl]-5-fluoro-2,7-dihydroazonine.

Molecular Properties

Compound Name(3Z,5E,8Z)-1-tert-butyl-9-[(1E)-3-cyclopropylbuta-1,3-dienyl]-5-fluoro-2,7-dihydroazonine
PubChem CID143968689
Molecular FormulaC19H26FN
Molecular Weight287.42 g/mol
Exact Mass287.20
IUPAC Name(3Z,5E,8Z)-1-tert-butyl-9-[(1E)-3-cyclopropylbuta-1,3-dienyl]-5-fluoro-2,7-dihydroazonine
SMILESC=C(/C=C/C1=C/C/C=C(F)\C=C/CN1C(C)(C)C)C1CC1
InChIInChI=1S/C19H26FN/c1-15(16-11-12-16)10-13-18-9-5-7-17(20)8-6-14-21(18)19(2,3)4/h6-10,13,16H,1,5,11-12,14H2,2-4H3/b8-6-,13-10+,17-7+,18-9-
InChIKeyMTSAXYLBKWZKKU-ITNIAHLCSA-N
XLogP5.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.42
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z,5E,8Z)-1-tert-butyl-9-[(1E)-3-cyclopropylbuta-1,3-dienyl]-5-fluoro-2,7-dihydroazonine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3Z,5E,8Z)-1-tert-butyl-9-[(1E)-3-cyclopropylbuta-1,3-dienyl]-5-fluoro-2,7-dihydroazonine?
The IUPAC name of (3Z,5E,8Z)-1-tert-butyl-9-[(1E)-3-cyclopropylbuta-1,3-dienyl]-5-fluoro-2,7-dihydroazonine (CID 143968689) is (3Z,5E,8Z)-1-tert-butyl-9-[(1E)-3-cyclopropylbuta-1,3-dienyl]-5-fluoro-2,7-dihydroazonine.
What is the SMILES notation for (3Z,5E,8Z)-1-tert-butyl-9-[(1E)-3-cyclopropylbuta-1,3-dienyl]-5-fluoro-2,7-dihydroazonine?
The canonical SMILES for (3Z,5E,8Z)-1-tert-butyl-9-[(1E)-3-cyclopropylbuta-1,3-dienyl]-5-fluoro-2,7-dihydroazonine is C=C(/C=C/C1=C/C/C=C(F)\C=C/CN1C(C)(C)C)C1CC1.
What is the InChIKey of (3Z,5E,8Z)-1-tert-butyl-9-[(1E)-3-cyclopropylbuta-1,3-dienyl]-5-fluoro-2,7-dihydroazonine?
The InChIKey is MTSAXYLBKWZKKU-ITNIAHLCSA-N. The full InChI is InChI=1S/C19H26FN/c1-15(16-11-12-16)10-13-18-9-5-7-17(20)8-6-14-21(18)19(2,3)4/h6-10,13,16H,1,5,11-12,14H2,2-4H3/b8-6-,13-10+,17-7+,18-9-.
What are the key properties of (3Z,5E,8Z)-1-tert-butyl-9-[(1E)-3-cyclopropylbuta-1,3-dienyl]-5-fluoro-2,7-dihydroazonine?
(3Z,5E,8Z)-1-tert-butyl-9-[(1E)-3-cyclopropylbuta-1,3-dienyl]-5-fluoro-2,7-dihydroazonine has a molecular weight of 287.42 g/mol, XLogP of 5.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E,8Z)-1-tert-butyl-9-[(1E)-3-cyclopropylbuta-1,3-dienyl]-5-fluoro-2,7-dihydroazonine is sourced from PubChem (CID 143968689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).