(3Z,5E,6E)-5-[1-(ethylideneamino)ethylidene]-6-fluoro-3-methyldeca-3,6-dien-4-amine

C15H25FN2 — CID 177018825

IUPAC(3Z,5E,6E)-5-[1-(ethylideneamino)ethylidene]-6-fluoro-3-methyldeca-3,6-dien-4-amine
SMILESC/C=N/C(C)=C(C(\N)=C(/C)CC)/C(F)=C\CCC
InChIInChI=1S/C15H25FN2/c1-6-9-10-13(16)14(12(5)18-8-3)15(17)11(4)7-2/h8,10H,6-7,9,17H2,1-5H3/b13-10+,14-12-,15-11-,18-8+
InChIKeyZBQACNRJJJJADM-FXYQKBEGSA-N
MW252.38 g/mol
LogP4.65
Rot. Bonds6

About (3Z,5E,6E)-5-[1-(ethylideneamino)ethylidene]-6-fluoro-3-methyldeca-3,6-dien-4-amine

(3Z,5E,6E)-5-[1-(ethylideneamino)ethylidene]-6-fluoro-3-methyldeca-3,6-dien-4-amine (PubChem CID 177018825) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is (3Z,5E,6E)-5-[1-(ethylideneamino)ethylidene]-6-fluoro-3-methyldeca-3,6-dien-4-amine.

Molecular Properties

Compound Name(3Z,5E,6E)-5-[1-(ethylideneamino)ethylidene]-6-fluoro-3-methyldeca-3,6-dien-4-amine
PubChem CID177018825
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC Name(3Z,5E,6E)-5-[1-(ethylideneamino)ethylidene]-6-fluoro-3-methyldeca-3,6-dien-4-amine
SMILESC/C=N/C(C)=C(C(\N)=C(/C)CC)/C(F)=C\CCC
InChIInChI=1S/C15H25FN2/c1-6-9-10-13(16)14(12(5)18-8-3)15(17)11(4)7-2/h8,10H,6-7,9,17H2,1-5H3/b13-10+,14-12-,15-11-,18-8+
InChIKeyZBQACNRJJJJADM-FXYQKBEGSA-N
XLogP4.65
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,5E,6E)-5-[1-(ethylideneamino)ethylidene]-6-fluoro-3-methyldeca-3,6-dien-4-amine?
The IUPAC name of (3Z,5E,6E)-5-[1-(ethylideneamino)ethylidene]-6-fluoro-3-methyldeca-3,6-dien-4-amine (CID 177018825) is (3Z,5E,6E)-5-[1-(ethylideneamino)ethylidene]-6-fluoro-3-methyldeca-3,6-dien-4-amine.
What is the SMILES notation for (3Z,5E,6E)-5-[1-(ethylideneamino)ethylidene]-6-fluoro-3-methyldeca-3,6-dien-4-amine?
The canonical SMILES for (3Z,5E,6E)-5-[1-(ethylideneamino)ethylidene]-6-fluoro-3-methyldeca-3,6-dien-4-amine is C/C=N/C(C)=C(C(\N)=C(/C)CC)/C(F)=C\CCC.
What is the InChIKey of (3Z,5E,6E)-5-[1-(ethylideneamino)ethylidene]-6-fluoro-3-methyldeca-3,6-dien-4-amine?
The InChIKey is ZBQACNRJJJJADM-FXYQKBEGSA-N. The full InChI is InChI=1S/C15H25FN2/c1-6-9-10-13(16)14(12(5)18-8-3)15(17)11(4)7-2/h8,10H,6-7,9,17H2,1-5H3/b13-10+,14-12-,15-11-,18-8+.
What are the key properties of (3Z,5E,6E)-5-[1-(ethylideneamino)ethylidene]-6-fluoro-3-methyldeca-3,6-dien-4-amine?
(3Z,5E,6E)-5-[1-(ethylideneamino)ethylidene]-6-fluoro-3-methyldeca-3,6-dien-4-amine has a molecular weight of 252.38 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E,6E)-5-[1-(ethylideneamino)ethylidene]-6-fluoro-3-methyldeca-3,6-dien-4-amine is sourced from PubChem (CID 177018825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).