(6Z)-9-fluoro-5-methylidene-N-[2-[methyl(propyl)amino]ethyl]undeca-6,10-dienamide

C18H31FN2O — CID 163930461

IUPAC(6Z)-9-fluoro-5-methylidene-N-[2-[methyl(propyl)amino]ethyl]undeca-6,10-dienamide
SMILESC=CC(F)C/C=C\C(=C)CCCC(=O)NCCN(C)CCC
InChIInChI=1S/C18H31FN2O/c1-5-14-21(4)15-13-20-18(22)12-8-10-16(3)9-7-11-17(19)6-2/h6-7,9,17H,2-3,5,8,10-15H2,1,4H3,(H,20,22)/b9-7-
InChIKeyRIGFJMVSRHRARC-CLFYSBASSA-N
MW310.46 g/mol
LogP3.64
Rot. Bonds13

About (6Z)-9-fluoro-5-methylidene-N-[2-[methyl(propyl)amino]ethyl]undeca-6,10-dienamide

(6Z)-9-fluoro-5-methylidene-N-[2-[methyl(propyl)amino]ethyl]undeca-6,10-dienamide (PubChem CID 163930461) has the molecular formula C18H31FN2O and a molecular weight of 310.46 g/mol. Its IUPAC name is (6Z)-9-fluoro-5-methylidene-N-[2-[methyl(propyl)amino]ethyl]undeca-6,10-dienamide.

Molecular Properties

Compound Name(6Z)-9-fluoro-5-methylidene-N-[2-[methyl(propyl)amino]ethyl]undeca-6,10-dienamide
PubChem CID163930461
Molecular FormulaC18H31FN2O
Molecular Weight310.46 g/mol
Exact Mass310.24
IUPAC Name(6Z)-9-fluoro-5-methylidene-N-[2-[methyl(propyl)amino]ethyl]undeca-6,10-dienamide
SMILESC=CC(F)C/C=C\C(=C)CCCC(=O)NCCN(C)CCC
InChIInChI=1S/C18H31FN2O/c1-5-14-21(4)15-13-20-18(22)12-8-10-16(3)9-7-11-17(19)6-2/h6-7,9,17H,2-3,5,8,10-15H2,1,4H3,(H,20,22)/b9-7-
InChIKeyRIGFJMVSRHRARC-CLFYSBASSA-N
XLogP3.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 53.64
H-Bond Donors ≤ 51
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 (6Z)-9-fluoro-5-methylidene-N-[2-[methyl(propyl)amino]ethyl]undeca-6,10-dienamide?
The IUPAC name of (6Z)-9-fluoro-5-methylidene-N-[2-[methyl(propyl)amino]ethyl]undeca-6,10-dienamide (CID 163930461) is (6Z)-9-fluoro-5-methylidene-N-[2-[methyl(propyl)amino]ethyl]undeca-6,10-dienamide.
What is the SMILES notation for (6Z)-9-fluoro-5-methylidene-N-[2-[methyl(propyl)amino]ethyl]undeca-6,10-dienamide?
The canonical SMILES for (6Z)-9-fluoro-5-methylidene-N-[2-[methyl(propyl)amino]ethyl]undeca-6,10-dienamide is C=CC(F)C/C=C\C(=C)CCCC(=O)NCCN(C)CCC.
What is the InChIKey of (6Z)-9-fluoro-5-methylidene-N-[2-[methyl(propyl)amino]ethyl]undeca-6,10-dienamide?
The InChIKey is RIGFJMVSRHRARC-CLFYSBASSA-N. The full InChI is InChI=1S/C18H31FN2O/c1-5-14-21(4)15-13-20-18(22)12-8-10-16(3)9-7-11-17(19)6-2/h6-7,9,17H,2-3,5,8,10-15H2,1,4H3,(H,20,22)/b9-7-.
What are the key properties of (6Z)-9-fluoro-5-methylidene-N-[2-[methyl(propyl)amino]ethyl]undeca-6,10-dienamide?
(6Z)-9-fluoro-5-methylidene-N-[2-[methyl(propyl)amino]ethyl]undeca-6,10-dienamide has a molecular weight of 310.46 g/mol, XLogP of 3.64, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-9-fluoro-5-methylidene-N-[2-[methyl(propyl)amino]ethyl]undeca-6,10-dienamide is sourced from PubChem (CID 163930461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).