3-methyl-N-[(1E,3Z)-3-methyl-2-(1,1,2-trifluoroethyl)penta-1,3-dienyl]hexan-2-imine

C15H24F3N — CID 123544900

IUPAC3-methyl-N-[(1E,3Z)-3-methyl-2-(1,1,2-trifluoroethyl)penta-1,3-dienyl]hexan-2-imine
SMILESC/C=C(C)\C(=C/N=C(\C)C(C)CCC)C(F)(F)CF
InChIInChI=1S/C15H24F3N/c1-6-8-12(4)13(5)19-9-14(11(3)7-2)15(17,18)10-16/h7,9,12H,6,8,10H2,1-5H3/b11-7-,14-9+,19-13+
InChIKeyKWFXJPRNIHXZFT-ZNQSSHHQSA-N
MW275.36 g/mol
LogP5.34
Rot. Bonds7

About 3-methyl-N-[(1E,3Z)-3-methyl-2-(1,1,2-trifluoroethyl)penta-1,3-dienyl]hexan-2-imine

3-methyl-N-[(1E,3Z)-3-methyl-2-(1,1,2-trifluoroethyl)penta-1,3-dienyl]hexan-2-imine (PubChem CID 123544900) has the molecular formula C15H24F3N and a molecular weight of 275.36 g/mol. Its IUPAC name is 3-methyl-N-[(1E,3Z)-3-methyl-2-(1,1,2-trifluoroethyl)penta-1,3-dienyl]hexan-2-imine.

Molecular Properties

Compound Name3-methyl-N-[(1E,3Z)-3-methyl-2-(1,1,2-trifluoroethyl)penta-1,3-dienyl]hexan-2-imine
PubChem CID123544900
Molecular FormulaC15H24F3N
Molecular Weight275.36 g/mol
Exact Mass275.19
IUPAC Name3-methyl-N-[(1E,3Z)-3-methyl-2-(1,1,2-trifluoroethyl)penta-1,3-dienyl]hexan-2-imine
SMILESC/C=C(C)\C(=C/N=C(\C)C(C)CCC)C(F)(F)CF
InChIInChI=1S/C15H24F3N/c1-6-8-12(4)13(5)19-9-14(11(3)7-2)15(17,18)10-16/h7,9,12H,6,8,10H2,1-5H3/b11-7-,14-9+,19-13+
InChIKeyKWFXJPRNIHXZFT-ZNQSSHHQSA-N
XLogP5.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.36
LogP ≤ 55.34
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 3-methyl-N-[(1E,3Z)-3-methyl-2-(1,1,2-trifluoroethyl)penta-1,3-dienyl]hexan-2-imine?
The IUPAC name of 3-methyl-N-[(1E,3Z)-3-methyl-2-(1,1,2-trifluoroethyl)penta-1,3-dienyl]hexan-2-imine (CID 123544900) is 3-methyl-N-[(1E,3Z)-3-methyl-2-(1,1,2-trifluoroethyl)penta-1,3-dienyl]hexan-2-imine.
What is the SMILES notation for 3-methyl-N-[(1E,3Z)-3-methyl-2-(1,1,2-trifluoroethyl)penta-1,3-dienyl]hexan-2-imine?
The canonical SMILES for 3-methyl-N-[(1E,3Z)-3-methyl-2-(1,1,2-trifluoroethyl)penta-1,3-dienyl]hexan-2-imine is C/C=C(C)\C(=C/N=C(\C)C(C)CCC)C(F)(F)CF.
What is the InChIKey of 3-methyl-N-[(1E,3Z)-3-methyl-2-(1,1,2-trifluoroethyl)penta-1,3-dienyl]hexan-2-imine?
The InChIKey is KWFXJPRNIHXZFT-ZNQSSHHQSA-N. The full InChI is InChI=1S/C15H24F3N/c1-6-8-12(4)13(5)19-9-14(11(3)7-2)15(17,18)10-16/h7,9,12H,6,8,10H2,1-5H3/b11-7-,14-9+,19-13+.
What are the key properties of 3-methyl-N-[(1E,3Z)-3-methyl-2-(1,1,2-trifluoroethyl)penta-1,3-dienyl]hexan-2-imine?
3-methyl-N-[(1E,3Z)-3-methyl-2-(1,1,2-trifluoroethyl)penta-1,3-dienyl]hexan-2-imine has a molecular weight of 275.36 g/mol, XLogP of 5.34, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1E,3Z)-3-methyl-2-(1,1,2-trifluoroethyl)penta-1,3-dienyl]hexan-2-imine is sourced from PubChem (CID 123544900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).