(E)-5-fluoro-3-methylidene-N-(2-methylpropyl)hex-4-en-1-amine

C11H20FN — CID 166853893

IUPAC(E)-5-fluoro-3-methylidene-N-(2-methylpropyl)hex-4-en-1-amine
SMILESC=C(/C=C(\C)F)CCNCC(C)C
InChIInChI=1S/C11H20FN/c1-9(2)8-13-6-5-10(3)7-11(4)12/h7,9,13H,3,5-6,8H2,1-2,4H3/b11-7+
InChIKeyDFFQYWWIKDDPCE-YRNVUSSQSA-N
MW185.29 g/mol
LogP3.05
Rot. Bonds6

About (E)-5-fluoro-3-methylidene-N-(2-methylpropyl)hex-4-en-1-amine

(E)-5-fluoro-3-methylidene-N-(2-methylpropyl)hex-4-en-1-amine (PubChem CID 166853893) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is (E)-5-fluoro-3-methylidene-N-(2-methylpropyl)hex-4-en-1-amine.

Molecular Properties

Compound Name(E)-5-fluoro-3-methylidene-N-(2-methylpropyl)hex-4-en-1-amine
PubChem CID166853893
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Name(E)-5-fluoro-3-methylidene-N-(2-methylpropyl)hex-4-en-1-amine
SMILESC=C(/C=C(\C)F)CCNCC(C)C
InChIInChI=1S/C11H20FN/c1-9(2)8-13-6-5-10(3)7-11(4)12/h7,9,13H,3,5-6,8H2,1-2,4H3/b11-7+
InChIKeyDFFQYWWIKDDPCE-YRNVUSSQSA-N
XLogP3.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-5-fluoro-3-methylidene-N-(2-methylpropyl)hex-4-en-1-amine?
The IUPAC name of (E)-5-fluoro-3-methylidene-N-(2-methylpropyl)hex-4-en-1-amine (CID 166853893) is (E)-5-fluoro-3-methylidene-N-(2-methylpropyl)hex-4-en-1-amine.
What is the SMILES notation for (E)-5-fluoro-3-methylidene-N-(2-methylpropyl)hex-4-en-1-amine?
The canonical SMILES for (E)-5-fluoro-3-methylidene-N-(2-methylpropyl)hex-4-en-1-amine is C=C(/C=C(\C)F)CCNCC(C)C.
What is the InChIKey of (E)-5-fluoro-3-methylidene-N-(2-methylpropyl)hex-4-en-1-amine?
The InChIKey is DFFQYWWIKDDPCE-YRNVUSSQSA-N. The full InChI is InChI=1S/C11H20FN/c1-9(2)8-13-6-5-10(3)7-11(4)12/h7,9,13H,3,5-6,8H2,1-2,4H3/b11-7+.
What are the key properties of (E)-5-fluoro-3-methylidene-N-(2-methylpropyl)hex-4-en-1-amine?
(E)-5-fluoro-3-methylidene-N-(2-methylpropyl)hex-4-en-1-amine has a molecular weight of 185.29 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-fluoro-3-methylidene-N-(2-methylpropyl)hex-4-en-1-amine is sourced from PubChem (CID 166853893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).