(2E,5Z,7E)-8-fluoro-N,5,7-trimethyldeca-2,5,7,9-tetraen-2-amine

C13H20FN — CID 146577737

IUPAC(2E,5Z,7E)-8-fluoro-N,5,7-trimethyldeca-2,5,7,9-tetraen-2-amine
SMILESC=C/C(F)=C(C)\C=C(\C)C/C=C(\C)NC
InChIInChI=1S/C13H20FN/c1-6-13(14)11(3)9-10(2)7-8-12(4)15-5/h6,8-9,15H,1,7H2,2-5H3/b10-9-,12-8+,13-11+
InChIKeyLKJKKOFXAUMLMJ-DFQFQWLASA-N
MW209.31 g/mol
LogP3.88
Rot. Bonds5

About (2E,5Z,7E)-8-fluoro-N,5,7-trimethyldeca-2,5,7,9-tetraen-2-amine

(2E,5Z,7E)-8-fluoro-N,5,7-trimethyldeca-2,5,7,9-tetraen-2-amine (PubChem CID 146577737) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is (2E,5Z,7E)-8-fluoro-N,5,7-trimethyldeca-2,5,7,9-tetraen-2-amine.

Molecular Properties

Compound Name(2E,5Z,7E)-8-fluoro-N,5,7-trimethyldeca-2,5,7,9-tetraen-2-amine
PubChem CID146577737
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC Name(2E,5Z,7E)-8-fluoro-N,5,7-trimethyldeca-2,5,7,9-tetraen-2-amine
SMILESC=C/C(F)=C(C)\C=C(\C)C/C=C(\C)NC
InChIInChI=1S/C13H20FN/c1-6-13(14)11(3)9-10(2)7-8-12(4)15-5/h6,8-9,15H,1,7H2,2-5H3/b10-9-,12-8+,13-11+
InChIKeyLKJKKOFXAUMLMJ-DFQFQWLASA-N
XLogP3.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,5Z,7E)-8-fluoro-N,5,7-trimethyldeca-2,5,7,9-tetraen-2-amine?
The IUPAC name of (2E,5Z,7E)-8-fluoro-N,5,7-trimethyldeca-2,5,7,9-tetraen-2-amine (CID 146577737) is (2E,5Z,7E)-8-fluoro-N,5,7-trimethyldeca-2,5,7,9-tetraen-2-amine.
What is the SMILES notation for (2E,5Z,7E)-8-fluoro-N,5,7-trimethyldeca-2,5,7,9-tetraen-2-amine?
The canonical SMILES for (2E,5Z,7E)-8-fluoro-N,5,7-trimethyldeca-2,5,7,9-tetraen-2-amine is C=C/C(F)=C(C)\C=C(\C)C/C=C(\C)NC.
What is the InChIKey of (2E,5Z,7E)-8-fluoro-N,5,7-trimethyldeca-2,5,7,9-tetraen-2-amine?
The InChIKey is LKJKKOFXAUMLMJ-DFQFQWLASA-N. The full InChI is InChI=1S/C13H20FN/c1-6-13(14)11(3)9-10(2)7-8-12(4)15-5/h6,8-9,15H,1,7H2,2-5H3/b10-9-,12-8+,13-11+.
What are the key properties of (2E,5Z,7E)-8-fluoro-N,5,7-trimethyldeca-2,5,7,9-tetraen-2-amine?
(2E,5Z,7E)-8-fluoro-N,5,7-trimethyldeca-2,5,7,9-tetraen-2-amine has a molecular weight of 209.31 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z,7E)-8-fluoro-N,5,7-trimethyldeca-2,5,7,9-tetraen-2-amine is sourced from PubChem (CID 146577737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).