(E)-4-fluoro-2,2,3,5,6-pentamethyloct-6-en-1-amine

C13H26FN — CID 135244556

IUPAC(E)-4-fluoro-2,2,3,5,6-pentamethyloct-6-en-1-amine
SMILESC/C=C(\C)C(C)C(F)C(C)C(C)(C)CN
InChIInChI=1S/C13H26FN/c1-7-9(2)10(3)12(14)11(4)13(5,6)8-15/h7,10-12H,8,15H2,1-6H3/b9-7+
InChIKeyWRDZKWPAYVQTKD-VQHVLOKHSA-N
MW215.36 g/mol
LogP3.55
Rot. Bonds5

About (E)-4-fluoro-2,2,3,5,6-pentamethyloct-6-en-1-amine

(E)-4-fluoro-2,2,3,5,6-pentamethyloct-6-en-1-amine (PubChem CID 135244556) has the molecular formula C13H26FN and a molecular weight of 215.36 g/mol. Its IUPAC name is (E)-4-fluoro-2,2,3,5,6-pentamethyloct-6-en-1-amine.

Molecular Properties

Compound Name(E)-4-fluoro-2,2,3,5,6-pentamethyloct-6-en-1-amine
PubChem CID135244556
Molecular FormulaC13H26FN
Molecular Weight215.36 g/mol
Exact Mass215.20
IUPAC Name(E)-4-fluoro-2,2,3,5,6-pentamethyloct-6-en-1-amine
SMILESC/C=C(\C)C(C)C(F)C(C)C(C)(C)CN
InChIInChI=1S/C13H26FN/c1-7-9(2)10(3)12(14)11(4)13(5,6)8-15/h7,10-12H,8,15H2,1-6H3/b9-7+
InChIKeyWRDZKWPAYVQTKD-VQHVLOKHSA-N
XLogP3.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-fluoro-2,2,3,5,6-pentamethyloct-6-en-1-amine?
The IUPAC name of (E)-4-fluoro-2,2,3,5,6-pentamethyloct-6-en-1-amine (CID 135244556) is (E)-4-fluoro-2,2,3,5,6-pentamethyloct-6-en-1-amine.
What is the SMILES notation for (E)-4-fluoro-2,2,3,5,6-pentamethyloct-6-en-1-amine?
The canonical SMILES for (E)-4-fluoro-2,2,3,5,6-pentamethyloct-6-en-1-amine is C/C=C(\C)C(C)C(F)C(C)C(C)(C)CN.
What is the InChIKey of (E)-4-fluoro-2,2,3,5,6-pentamethyloct-6-en-1-amine?
The InChIKey is WRDZKWPAYVQTKD-VQHVLOKHSA-N. The full InChI is InChI=1S/C13H26FN/c1-7-9(2)10(3)12(14)11(4)13(5,6)8-15/h7,10-12H,8,15H2,1-6H3/b9-7+.
What are the key properties of (E)-4-fluoro-2,2,3,5,6-pentamethyloct-6-en-1-amine?
(E)-4-fluoro-2,2,3,5,6-pentamethyloct-6-en-1-amine has a molecular weight of 215.36 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-fluoro-2,2,3,5,6-pentamethyloct-6-en-1-amine is sourced from PubChem (CID 135244556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).