N-[(2Z,6E,8E)-8-fluoro-6-methylundeca-2,6,8,10-tetraen-3-yl]propan-2-imine

C15H22FN — CID 156544831

IUPACN-[(2Z,6E,8E)-8-fluoro-6-methylundeca-2,6,8,10-tetraen-3-yl]propan-2-imine
SMILESC=C/C=C(F)\C=C(/C)CC/C(=C/C)N=C(C)C
InChIInChI=1S/C15H22FN/c1-6-8-14(16)11-13(5)9-10-15(7-2)17-12(3)4/h6-8,11H,1,9-10H2,2-5H3/b13-11+,14-8+,15-7-
InChIKeyJGAMPKFXLLZFFP-QAXKJFCZSA-N
MW235.35 g/mol
LogP5.14
Rot. Bonds6

About N-[(2Z,6E,8E)-8-fluoro-6-methylundeca-2,6,8,10-tetraen-3-yl]propan-2-imine

N-[(2Z,6E,8E)-8-fluoro-6-methylundeca-2,6,8,10-tetraen-3-yl]propan-2-imine (PubChem CID 156544831) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is N-[(2Z,6E,8E)-8-fluoro-6-methylundeca-2,6,8,10-tetraen-3-yl]propan-2-imine.

Molecular Properties

Compound NameN-[(2Z,6E,8E)-8-fluoro-6-methylundeca-2,6,8,10-tetraen-3-yl]propan-2-imine
PubChem CID156544831
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC NameN-[(2Z,6E,8E)-8-fluoro-6-methylundeca-2,6,8,10-tetraen-3-yl]propan-2-imine
SMILESC=C/C=C(F)\C=C(/C)CC/C(=C/C)N=C(C)C
InChIInChI=1S/C15H22FN/c1-6-8-14(16)11-13(5)9-10-15(7-2)17-12(3)4/h6-8,11H,1,9-10H2,2-5H3/b13-11+,14-8+,15-7-
InChIKeyJGAMPKFXLLZFFP-QAXKJFCZSA-N
XLogP5.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500235.35
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2Z,6E,8E)-8-fluoro-6-methylundeca-2,6,8,10-tetraen-3-yl]propan-2-imine?
The IUPAC name of N-[(2Z,6E,8E)-8-fluoro-6-methylundeca-2,6,8,10-tetraen-3-yl]propan-2-imine (CID 156544831) is N-[(2Z,6E,8E)-8-fluoro-6-methylundeca-2,6,8,10-tetraen-3-yl]propan-2-imine.
What is the SMILES notation for N-[(2Z,6E,8E)-8-fluoro-6-methylundeca-2,6,8,10-tetraen-3-yl]propan-2-imine?
The canonical SMILES for N-[(2Z,6E,8E)-8-fluoro-6-methylundeca-2,6,8,10-tetraen-3-yl]propan-2-imine is C=C/C=C(F)\C=C(/C)CC/C(=C/C)N=C(C)C.
What is the InChIKey of N-[(2Z,6E,8E)-8-fluoro-6-methylundeca-2,6,8,10-tetraen-3-yl]propan-2-imine?
The InChIKey is JGAMPKFXLLZFFP-QAXKJFCZSA-N. The full InChI is InChI=1S/C15H22FN/c1-6-8-14(16)11-13(5)9-10-15(7-2)17-12(3)4/h6-8,11H,1,9-10H2,2-5H3/b13-11+,14-8+,15-7-.
What are the key properties of N-[(2Z,6E,8E)-8-fluoro-6-methylundeca-2,6,8,10-tetraen-3-yl]propan-2-imine?
N-[(2Z,6E,8E)-8-fluoro-6-methylundeca-2,6,8,10-tetraen-3-yl]propan-2-imine has a molecular weight of 235.35 g/mol, XLogP of 5.14, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,6E,8E)-8-fluoro-6-methylundeca-2,6,8,10-tetraen-3-yl]propan-2-imine is sourced from PubChem (CID 156544831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).