ethane;2-[(1E,3E,5E,7E)-1-fluoro-9-methylideneundeca-1,3,5,7-tetraen-4-yl]oxy-N-methylpropan-1-amine

C18H30FNO — CID 156867915

IUPACethane;2-[(1E,3E,5E,7E)-1-fluoro-9-methylideneundeca-1,3,5,7-tetraen-4-yl]oxy-N-methylpropan-1-amine
SMILESC=C(/C=C/C=C/C(=C\C=C\F)OC(C)CNC)CC.CC
InChIInChI=1S/C16H24FNO.C2H6/c1-5-14(2)9-6-7-10-16(11-8-12-17)19-15(3)13-18-4;1-2/h6-12,15,18H,2,5,13H2,1,3-4H3;1-2H3/b9-6+,10-7+,12-8+,16-11+;
InChIKeyIQUVCHULZPFJQK-WHLDHSGCSA-N
MW295.44 g/mol
LogP5.08
Rot. Bonds9

About ethane;2-[(1E,3E,5E,7E)-1-fluoro-9-methylideneundeca-1,3,5,7-tetraen-4-yl]oxy-N-methylpropan-1-amine

ethane;2-[(1E,3E,5E,7E)-1-fluoro-9-methylideneundeca-1,3,5,7-tetraen-4-yl]oxy-N-methylpropan-1-amine (PubChem CID 156867915) has the molecular formula C18H30FNO and a molecular weight of 295.44 g/mol. Its IUPAC name is ethane;2-[(1E,3E,5E,7E)-1-fluoro-9-methylideneundeca-1,3,5,7-tetraen-4-yl]oxy-N-methylpropan-1-amine.

Molecular Properties

Compound Nameethane;2-[(1E,3E,5E,7E)-1-fluoro-9-methylideneundeca-1,3,5,7-tetraen-4-yl]oxy-N-methylpropan-1-amine
PubChem CID156867915
Molecular FormulaC18H30FNO
Molecular Weight295.44 g/mol
Exact Mass295.23
IUPAC Nameethane;2-[(1E,3E,5E,7E)-1-fluoro-9-methylideneundeca-1,3,5,7-tetraen-4-yl]oxy-N-methylpropan-1-amine
SMILESC=C(/C=C/C=C/C(=C\C=C\F)OC(C)CNC)CC.CC
InChIInChI=1S/C16H24FNO.C2H6/c1-5-14(2)9-6-7-10-16(11-8-12-17)19-15(3)13-18-4;1-2/h6-12,15,18H,2,5,13H2,1,3-4H3;1-2H3/b9-6+,10-7+,12-8+,16-11+;
InChIKeyIQUVCHULZPFJQK-WHLDHSGCSA-N
XLogP5.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.44
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;2-[(1E,3E,5E,7E)-1-fluoro-9-methylideneundeca-1,3,5,7-tetraen-4-yl]oxy-N-methylpropan-1-amine?
The IUPAC name of ethane;2-[(1E,3E,5E,7E)-1-fluoro-9-methylideneundeca-1,3,5,7-tetraen-4-yl]oxy-N-methylpropan-1-amine (CID 156867915) is ethane;2-[(1E,3E,5E,7E)-1-fluoro-9-methylideneundeca-1,3,5,7-tetraen-4-yl]oxy-N-methylpropan-1-amine.
What is the SMILES notation for ethane;2-[(1E,3E,5E,7E)-1-fluoro-9-methylideneundeca-1,3,5,7-tetraen-4-yl]oxy-N-methylpropan-1-amine?
The canonical SMILES for ethane;2-[(1E,3E,5E,7E)-1-fluoro-9-methylideneundeca-1,3,5,7-tetraen-4-yl]oxy-N-methylpropan-1-amine is C=C(/C=C/C=C/C(=C\C=C\F)OC(C)CNC)CC.CC.
What is the InChIKey of ethane;2-[(1E,3E,5E,7E)-1-fluoro-9-methylideneundeca-1,3,5,7-tetraen-4-yl]oxy-N-methylpropan-1-amine?
The InChIKey is IQUVCHULZPFJQK-WHLDHSGCSA-N. The full InChI is InChI=1S/C16H24FNO.C2H6/c1-5-14(2)9-6-7-10-16(11-8-12-17)19-15(3)13-18-4;1-2/h6-12,15,18H,2,5,13H2,1,3-4H3;1-2H3/b9-6+,10-7+,12-8+,16-11+;.
What are the key properties of ethane;2-[(1E,3E,5E,7E)-1-fluoro-9-methylideneundeca-1,3,5,7-tetraen-4-yl]oxy-N-methylpropan-1-amine?
ethane;2-[(1E,3E,5E,7E)-1-fluoro-9-methylideneundeca-1,3,5,7-tetraen-4-yl]oxy-N-methylpropan-1-amine has a molecular weight of 295.44 g/mol, XLogP of 5.08, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[(1E,3E,5E,7E)-1-fluoro-9-methylideneundeca-1,3,5,7-tetraen-4-yl]oxy-N-methylpropan-1-amine is sourced from PubChem (CID 156867915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).