(1E,3Z,5Z)-8-ethyl-7-(1-fluoroethyl)-4-methyldeca-1,3,5,7-tetraen-1-amine

C15H24FN — CID 167001470

IUPAC(1E,3Z,5Z)-8-ethyl-7-(1-fluoroethyl)-4-methyldeca-1,3,5,7-tetraen-1-amine
SMILESCCC(CC)=C(/C=C\C(C)=C/C=C/N)C(C)F
InChIInChI=1S/C15H24FN/c1-5-14(6-2)15(13(4)16)10-9-12(3)8-7-11-17/h7-11,13H,5-6,17H2,1-4H3/b10-9-,11-7+,12-8-
InChIKeyZBDNQXBGDMIJOC-HTICLULESA-N
MW237.36 g/mol
LogP4.44
Rot. Bonds6

About (1E,3Z,5Z)-8-ethyl-7-(1-fluoroethyl)-4-methyldeca-1,3,5,7-tetraen-1-amine

(1E,3Z,5Z)-8-ethyl-7-(1-fluoroethyl)-4-methyldeca-1,3,5,7-tetraen-1-amine (PubChem CID 167001470) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is (1E,3Z,5Z)-8-ethyl-7-(1-fluoroethyl)-4-methyldeca-1,3,5,7-tetraen-1-amine.

Molecular Properties

Compound Name(1E,3Z,5Z)-8-ethyl-7-(1-fluoroethyl)-4-methyldeca-1,3,5,7-tetraen-1-amine
PubChem CID167001470
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC Name(1E,3Z,5Z)-8-ethyl-7-(1-fluoroethyl)-4-methyldeca-1,3,5,7-tetraen-1-amine
SMILESCCC(CC)=C(/C=C\C(C)=C/C=C/N)C(C)F
InChIInChI=1S/C15H24FN/c1-5-14(6-2)15(13(4)16)10-9-12(3)8-7-11-17/h7-11,13H,5-6,17H2,1-4H3/b10-9-,11-7+,12-8-
InChIKeyZBDNQXBGDMIJOC-HTICLULESA-N
XLogP4.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,3Z,5Z)-8-ethyl-7-(1-fluoroethyl)-4-methyldeca-1,3,5,7-tetraen-1-amine?
The IUPAC name of (1E,3Z,5Z)-8-ethyl-7-(1-fluoroethyl)-4-methyldeca-1,3,5,7-tetraen-1-amine (CID 167001470) is (1E,3Z,5Z)-8-ethyl-7-(1-fluoroethyl)-4-methyldeca-1,3,5,7-tetraen-1-amine.
What is the SMILES notation for (1E,3Z,5Z)-8-ethyl-7-(1-fluoroethyl)-4-methyldeca-1,3,5,7-tetraen-1-amine?
The canonical SMILES for (1E,3Z,5Z)-8-ethyl-7-(1-fluoroethyl)-4-methyldeca-1,3,5,7-tetraen-1-amine is CCC(CC)=C(/C=C\C(C)=C/C=C/N)C(C)F.
What is the InChIKey of (1E,3Z,5Z)-8-ethyl-7-(1-fluoroethyl)-4-methyldeca-1,3,5,7-tetraen-1-amine?
The InChIKey is ZBDNQXBGDMIJOC-HTICLULESA-N. The full InChI is InChI=1S/C15H24FN/c1-5-14(6-2)15(13(4)16)10-9-12(3)8-7-11-17/h7-11,13H,5-6,17H2,1-4H3/b10-9-,11-7+,12-8-.
What are the key properties of (1E,3Z,5Z)-8-ethyl-7-(1-fluoroethyl)-4-methyldeca-1,3,5,7-tetraen-1-amine?
(1E,3Z,5Z)-8-ethyl-7-(1-fluoroethyl)-4-methyldeca-1,3,5,7-tetraen-1-amine has a molecular weight of 237.36 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z,5Z)-8-ethyl-7-(1-fluoroethyl)-4-methyldeca-1,3,5,7-tetraen-1-amine is sourced from PubChem (CID 167001470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).