N-[(2E,4E,6E)-1,1,1-trifluoro-2,6-dimethyldeca-2,4,6-trien-5-yl]pentan-2-imine

C17H26F3N — CID 153345353

IUPACN-[(2E,4E,6E)-1,1,1-trifluoro-2,6-dimethyldeca-2,4,6-trien-5-yl]pentan-2-imine
SMILESCCC/C=C(C)/C(=C\C=C(/C)C(F)(F)F)/N=C(\C)CCC
InChIInChI=1S/C17H26F3N/c1-6-8-10-13(3)16(21-15(5)9-7-2)12-11-14(4)17(18,19)20/h10-12H,6-9H2,1-5H3/b13-10+,14-11+,16-12+,21-15+
InChIKeyODDZDNNPKDMXIY-JQRKNAESSA-N
MW301.40 g/mol
LogP6.39
Rot. Bonds7

About N-[(2E,4E,6E)-1,1,1-trifluoro-2,6-dimethyldeca-2,4,6-trien-5-yl]pentan-2-imine

N-[(2E,4E,6E)-1,1,1-trifluoro-2,6-dimethyldeca-2,4,6-trien-5-yl]pentan-2-imine (PubChem CID 153345353) has the molecular formula C17H26F3N and a molecular weight of 301.40 g/mol. Its IUPAC name is N-[(2E,4E,6E)-1,1,1-trifluoro-2,6-dimethyldeca-2,4,6-trien-5-yl]pentan-2-imine.

Molecular Properties

Compound NameN-[(2E,4E,6E)-1,1,1-trifluoro-2,6-dimethyldeca-2,4,6-trien-5-yl]pentan-2-imine
PubChem CID153345353
Molecular FormulaC17H26F3N
Molecular Weight301.40 g/mol
Exact Mass301.20
IUPAC NameN-[(2E,4E,6E)-1,1,1-trifluoro-2,6-dimethyldeca-2,4,6-trien-5-yl]pentan-2-imine
SMILESCCC/C=C(C)/C(=C\C=C(/C)C(F)(F)F)/N=C(\C)CCC
InChIInChI=1S/C17H26F3N/c1-6-8-10-13(3)16(21-15(5)9-7-2)12-11-14(4)17(18,19)20/h10-12H,6-9H2,1-5H3/b13-10+,14-11+,16-12+,21-15+
InChIKeyODDZDNNPKDMXIY-JQRKNAESSA-N
XLogP6.39
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.40
LogP ≤ 56.39
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-[(2E,4E,6E)-1,1,1-trifluoro-2,6-dimethyldeca-2,4,6-trien-5-yl]pentan-2-imine?
The IUPAC name of N-[(2E,4E,6E)-1,1,1-trifluoro-2,6-dimethyldeca-2,4,6-trien-5-yl]pentan-2-imine (CID 153345353) is N-[(2E,4E,6E)-1,1,1-trifluoro-2,6-dimethyldeca-2,4,6-trien-5-yl]pentan-2-imine.
What is the SMILES notation for N-[(2E,4E,6E)-1,1,1-trifluoro-2,6-dimethyldeca-2,4,6-trien-5-yl]pentan-2-imine?
The canonical SMILES for N-[(2E,4E,6E)-1,1,1-trifluoro-2,6-dimethyldeca-2,4,6-trien-5-yl]pentan-2-imine is CCC/C=C(C)/C(=C\C=C(/C)C(F)(F)F)/N=C(\C)CCC.
What is the InChIKey of N-[(2E,4E,6E)-1,1,1-trifluoro-2,6-dimethyldeca-2,4,6-trien-5-yl]pentan-2-imine?
The InChIKey is ODDZDNNPKDMXIY-JQRKNAESSA-N. The full InChI is InChI=1S/C17H26F3N/c1-6-8-10-13(3)16(21-15(5)9-7-2)12-11-14(4)17(18,19)20/h10-12H,6-9H2,1-5H3/b13-10+,14-11+,16-12+,21-15+.
What are the key properties of N-[(2E,4E,6E)-1,1,1-trifluoro-2,6-dimethyldeca-2,4,6-trien-5-yl]pentan-2-imine?
N-[(2E,4E,6E)-1,1,1-trifluoro-2,6-dimethyldeca-2,4,6-trien-5-yl]pentan-2-imine has a molecular weight of 301.40 g/mol, XLogP of 6.39, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4E,6E)-1,1,1-trifluoro-2,6-dimethyldeca-2,4,6-trien-5-yl]pentan-2-imine is sourced from PubChem (CID 153345353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).