N-[(E)-10-fluoro-16-pyridin-3-ylhexadec-9-en-11-ynyl]-N-methylhydroxylamine

C22H33FN2O — CID 162624144

IUPACN-[(E)-10-fluoro-16-pyridin-3-ylhexadec-9-en-11-ynyl]-N-methylhydroxylamine
SMILESCN(O)CCCCCCCC/C=C(/F)C#CCCCCc1cccnc1
InChIInChI=1S/C22H33FN2O/c1-25(26)19-12-8-4-2-3-5-10-16-22(23)17-11-7-6-9-14-21-15-13-18-24-20-21/h13,15-16,18,20,26H,2-10,12,14,19H2,1H3/b22-16+
InChIKeyXQAIINMOICETHT-CJLVFECKSA-N
MW360.52 g/mol
LogP5.70
Rot. Bonds13

About N-[(E)-10-fluoro-16-pyridin-3-ylhexadec-9-en-11-ynyl]-N-methylhydroxylamine

N-[(E)-10-fluoro-16-pyridin-3-ylhexadec-9-en-11-ynyl]-N-methylhydroxylamine (PubChem CID 162624144) has the molecular formula C22H33FN2O and a molecular weight of 360.52 g/mol. Its IUPAC name is N-[(E)-10-fluoro-16-pyridin-3-ylhexadec-9-en-11-ynyl]-N-methylhydroxylamine.

Molecular Properties

Compound NameN-[(E)-10-fluoro-16-pyridin-3-ylhexadec-9-en-11-ynyl]-N-methylhydroxylamine
PubChem CID162624144
Molecular FormulaC22H33FN2O
Molecular Weight360.52 g/mol
Exact Mass360.26
IUPAC NameN-[(E)-10-fluoro-16-pyridin-3-ylhexadec-9-en-11-ynyl]-N-methylhydroxylamine
SMILESCN(O)CCCCCCCC/C=C(/F)C#CCCCCc1cccnc1
InChIInChI=1S/C22H33FN2O/c1-25(26)19-12-8-4-2-3-5-10-16-22(23)17-11-7-6-9-14-21-15-13-18-24-20-21/h13,15-16,18,20,26H,2-10,12,14,19H2,1H3/b22-16+
InChIKeyXQAIINMOICETHT-CJLVFECKSA-N
XLogP5.70
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.52
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N-methoxy-N-methyl-18-pyridin-3-yloctadec-11-en-13-yn-1-amine
CID 10452637
(Z)-N-methoxy-N-methyl-14-pyridin-3-yltetradec-9-en-1-amine
CID 23426295
16-pyridin-3-ylhexadec-7-yn-1-amine
CID 10448383
5-butyl-N-methyl-N-(4-pyridin-3-ylbutyl)non-4-en-1-amine
CID 23051542
(E)-12-pyridin-3-yldodec-3-en-1-ol
CID 11043541
8-pyridin-3-yloctan-1-ol
CID 11830623
3-[(E)-7-iodohept-6-enyl]pyridine
CID 11833526
ethane;4-pyridin-3-ylbutan-1-ol
CID 177219832
N-(5-butylnon-4-enyl)-N-(4-pyridin-3-ylbutyl)acetamide
CID 23051666
(Z)-18-pyridin-3-yloctadec-9-enamide
CID 122703819
(2S,4E,6E)-12-pyridin-3-yldodeca-4,6-dien-2-ol
CID 10061128
3-(14-methylpentadecyl)pyridine
CID 19697272

Frequently Asked Questions

What is the IUPAC name of N-[(E)-10-fluoro-16-pyridin-3-ylhexadec-9-en-11-ynyl]-N-methylhydroxylamine?
The IUPAC name of N-[(E)-10-fluoro-16-pyridin-3-ylhexadec-9-en-11-ynyl]-N-methylhydroxylamine (CID 162624144) is N-[(E)-10-fluoro-16-pyridin-3-ylhexadec-9-en-11-ynyl]-N-methylhydroxylamine.
What is the SMILES notation for N-[(E)-10-fluoro-16-pyridin-3-ylhexadec-9-en-11-ynyl]-N-methylhydroxylamine?
The canonical SMILES for N-[(E)-10-fluoro-16-pyridin-3-ylhexadec-9-en-11-ynyl]-N-methylhydroxylamine is CN(O)CCCCCCCC/C=C(/F)C#CCCCCc1cccnc1.
What is the InChIKey of N-[(E)-10-fluoro-16-pyridin-3-ylhexadec-9-en-11-ynyl]-N-methylhydroxylamine?
The InChIKey is XQAIINMOICETHT-CJLVFECKSA-N. The full InChI is InChI=1S/C22H33FN2O/c1-25(26)19-12-8-4-2-3-5-10-16-22(23)17-11-7-6-9-14-21-15-13-18-24-20-21/h13,15-16,18,20,26H,2-10,12,14,19H2,1H3/b22-16+.
What are the key properties of N-[(E)-10-fluoro-16-pyridin-3-ylhexadec-9-en-11-ynyl]-N-methylhydroxylamine?
N-[(E)-10-fluoro-16-pyridin-3-ylhexadec-9-en-11-ynyl]-N-methylhydroxylamine has a molecular weight of 360.52 g/mol, XLogP of 5.70, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-10-fluoro-16-pyridin-3-ylhexadec-9-en-11-ynyl]-N-methylhydroxylamine is sourced from PubChem (CID 162624144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).