2-amino-7-fluoro-5-methyldeca-4,6,9-trienamide

C11H17FN2O — CID 90937944

IUPAC2-amino-7-fluoro-5-methyldeca-4,6,9-trienamide
SMILESC=CCC(F)=CC(C)=CCC(N)C(N)=O
InChIInChI=1S/C11H17FN2O/c1-3-4-9(12)7-8(2)5-6-10(13)11(14)15/h3,5,7,10H,1,4,6,13H2,2H3,(H2,14,15)
InChIKeyIGKVRLCAQQFYGF-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.56
Rot. Bonds6

About 2-amino-7-fluoro-5-methyldeca-4,6,9-trienamide

2-amino-7-fluoro-5-methyldeca-4,6,9-trienamide (PubChem CID 90937944) has the molecular formula C11H17FN2O and a molecular weight of 212.27 g/mol. Its IUPAC name is 2-amino-7-fluoro-5-methyldeca-4,6,9-trienamide.

Molecular Properties

Compound Name2-amino-7-fluoro-5-methyldeca-4,6,9-trienamide
PubChem CID90937944
Molecular FormulaC11H17FN2O
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Name2-amino-7-fluoro-5-methyldeca-4,6,9-trienamide
SMILESC=CCC(F)=CC(C)=CCC(N)C(N)=O
InChIInChI=1S/C11H17FN2O/c1-3-4-9(12)7-8(2)5-6-10(13)11(14)15/h3,5,7,10H,1,4,6,13H2,2H3,(H2,14,15)
InChIKeyIGKVRLCAQQFYGF-UHFFFAOYSA-N
XLogP1.56
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 2-amino-7-fluoro-5-methyldeca-4,6,9-trienamide?
The IUPAC name of 2-amino-7-fluoro-5-methyldeca-4,6,9-trienamide (CID 90937944) is 2-amino-7-fluoro-5-methyldeca-4,6,9-trienamide.
What is the SMILES notation for 2-amino-7-fluoro-5-methyldeca-4,6,9-trienamide?
The canonical SMILES for 2-amino-7-fluoro-5-methyldeca-4,6,9-trienamide is C=CCC(F)=CC(C)=CCC(N)C(N)=O.
What is the InChIKey of 2-amino-7-fluoro-5-methyldeca-4,6,9-trienamide?
The InChIKey is IGKVRLCAQQFYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O/c1-3-4-9(12)7-8(2)5-6-10(13)11(14)15/h3,5,7,10H,1,4,6,13H2,2H3,(H2,14,15).
What are the key properties of 2-amino-7-fluoro-5-methyldeca-4,6,9-trienamide?
2-amino-7-fluoro-5-methyldeca-4,6,9-trienamide has a molecular weight of 212.27 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-fluoro-5-methyldeca-4,6,9-trienamide is sourced from PubChem (CID 90937944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).