(5E,8E)-5-ethyl-8-fluoro-9,10-dimethylundeca-5,8,10-trien-1-amine

C15H26FN — CID 134389898

IUPAC(5E,8E)-5-ethyl-8-fluoro-9,10-dimethylundeca-5,8,10-trien-1-amine
SMILESC=C(C)/C(C)=C(/F)C/C=C(\CC)CCCCN
InChIInChI=1S/C15H26FN/c1-5-14(8-6-7-11-17)9-10-15(16)13(4)12(2)3/h9H,2,5-8,10-11,17H2,1,3-4H3/b14-9+,15-13+
InChIKeyLMSKBZGXJFOXER-NNTZBSGJSA-N
MW239.38 g/mol
LogP4.66
Rot. Bonds8

About (5E,8E)-5-ethyl-8-fluoro-9,10-dimethylundeca-5,8,10-trien-1-amine

(5E,8E)-5-ethyl-8-fluoro-9,10-dimethylundeca-5,8,10-trien-1-amine (PubChem CID 134389898) has the molecular formula C15H26FN and a molecular weight of 239.38 g/mol. Its IUPAC name is (5E,8E)-5-ethyl-8-fluoro-9,10-dimethylundeca-5,8,10-trien-1-amine.

Molecular Properties

Compound Name(5E,8E)-5-ethyl-8-fluoro-9,10-dimethylundeca-5,8,10-trien-1-amine
PubChem CID134389898
Molecular FormulaC15H26FN
Molecular Weight239.38 g/mol
Exact Mass239.20
IUPAC Name(5E,8E)-5-ethyl-8-fluoro-9,10-dimethylundeca-5,8,10-trien-1-amine
SMILESC=C(C)/C(C)=C(/F)C/C=C(\CC)CCCCN
InChIInChI=1S/C15H26FN/c1-5-14(8-6-7-11-17)9-10-15(16)13(4)12(2)3/h9H,2,5-8,10-11,17H2,1,3-4H3/b14-9+,15-13+
InChIKeyLMSKBZGXJFOXER-NNTZBSGJSA-N
XLogP4.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5E,8E)-5-ethyl-8-fluoro-9,10-dimethylundeca-5,8,10-trien-1-amine?
The IUPAC name of (5E,8E)-5-ethyl-8-fluoro-9,10-dimethylundeca-5,8,10-trien-1-amine (CID 134389898) is (5E,8E)-5-ethyl-8-fluoro-9,10-dimethylundeca-5,8,10-trien-1-amine.
What is the SMILES notation for (5E,8E)-5-ethyl-8-fluoro-9,10-dimethylundeca-5,8,10-trien-1-amine?
The canonical SMILES for (5E,8E)-5-ethyl-8-fluoro-9,10-dimethylundeca-5,8,10-trien-1-amine is C=C(C)/C(C)=C(/F)C/C=C(\CC)CCCCN.
What is the InChIKey of (5E,8E)-5-ethyl-8-fluoro-9,10-dimethylundeca-5,8,10-trien-1-amine?
The InChIKey is LMSKBZGXJFOXER-NNTZBSGJSA-N. The full InChI is InChI=1S/C15H26FN/c1-5-14(8-6-7-11-17)9-10-15(16)13(4)12(2)3/h9H,2,5-8,10-11,17H2,1,3-4H3/b14-9+,15-13+.
What are the key properties of (5E,8E)-5-ethyl-8-fluoro-9,10-dimethylundeca-5,8,10-trien-1-amine?
(5E,8E)-5-ethyl-8-fluoro-9,10-dimethylundeca-5,8,10-trien-1-amine has a molecular weight of 239.38 g/mol, XLogP of 4.66, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,8E)-5-ethyl-8-fluoro-9,10-dimethylundeca-5,8,10-trien-1-amine is sourced from PubChem (CID 134389898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).