(7E)-8-fluoro-9-methoxy-N-methyldeca-1,2,4,7-tetraen-4-amine

C12H18FNO — CID 134286841

IUPAC(7E)-8-fluoro-9-methoxy-N-methyldeca-1,2,4,7-tetraen-4-amine
SMILESC=C=CC(=CC/C=C(/F)C(C)OC)NC
InChIInChI=1S/C12H18FNO/c1-5-7-11(14-3)8-6-9-12(13)10(2)15-4/h7-10,14H,1,6H2,2-4H3/b11-8?,12-9+
InChIKeyWSLQYVZIPRNZDW-MHHZDMLJSA-N
MW211.28 g/mol
LogP2.71
Rot. Bonds6

About (7E)-8-fluoro-9-methoxy-N-methyldeca-1,2,4,7-tetraen-4-amine

(7E)-8-fluoro-9-methoxy-N-methyldeca-1,2,4,7-tetraen-4-amine (PubChem CID 134286841) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is (7E)-8-fluoro-9-methoxy-N-methyldeca-1,2,4,7-tetraen-4-amine.

Molecular Properties

Compound Name(7E)-8-fluoro-9-methoxy-N-methyldeca-1,2,4,7-tetraen-4-amine
PubChem CID134286841
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name(7E)-8-fluoro-9-methoxy-N-methyldeca-1,2,4,7-tetraen-4-amine
SMILESC=C=CC(=CC/C=C(/F)C(C)OC)NC
InChIInChI=1S/C12H18FNO/c1-5-7-11(14-3)8-6-9-12(13)10(2)15-4/h7-10,14H,1,6H2,2-4H3/b11-8?,12-9+
InChIKeyWSLQYVZIPRNZDW-MHHZDMLJSA-N
XLogP2.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7E)-8-fluoro-9-methoxy-N-methyldeca-1,2,4,7-tetraen-4-amine?
The IUPAC name of (7E)-8-fluoro-9-methoxy-N-methyldeca-1,2,4,7-tetraen-4-amine (CID 134286841) is (7E)-8-fluoro-9-methoxy-N-methyldeca-1,2,4,7-tetraen-4-amine.
What is the SMILES notation for (7E)-8-fluoro-9-methoxy-N-methyldeca-1,2,4,7-tetraen-4-amine?
The canonical SMILES for (7E)-8-fluoro-9-methoxy-N-methyldeca-1,2,4,7-tetraen-4-amine is C=C=CC(=CC/C=C(/F)C(C)OC)NC.
What is the InChIKey of (7E)-8-fluoro-9-methoxy-N-methyldeca-1,2,4,7-tetraen-4-amine?
The InChIKey is WSLQYVZIPRNZDW-MHHZDMLJSA-N. The full InChI is InChI=1S/C12H18FNO/c1-5-7-11(14-3)8-6-9-12(13)10(2)15-4/h7-10,14H,1,6H2,2-4H3/b11-8?,12-9+.
What are the key properties of (7E)-8-fluoro-9-methoxy-N-methyldeca-1,2,4,7-tetraen-4-amine?
(7E)-8-fluoro-9-methoxy-N-methyldeca-1,2,4,7-tetraen-4-amine has a molecular weight of 211.28 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-8-fluoro-9-methoxy-N-methyldeca-1,2,4,7-tetraen-4-amine is sourced from PubChem (CID 134286841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).