N-cyclohexyl-6-methyl-3-(trifluoromethyl)hept-5-en-2-imine

C15H24F3N — CID 162565603

IUPACN-cyclohexyl-6-methyl-3-(trifluoromethyl)hept-5-en-2-imine
SMILESCC(C)=CCC(/C(C)=N/C1CCCCC1)C(F)(F)F
InChIInChI=1S/C15H24F3N/c1-11(2)9-10-14(15(16,17)18)12(3)19-13-7-5-4-6-8-13/h9,13-14H,4-8,10H2,1-3H3/b19-12+
InChIKeyWUIYGNISOBFGPB-XDHOZWIPSA-N
MW275.36 g/mol
LogP5.31
Rot. Bonds4

About N-cyclohexyl-6-methyl-3-(trifluoromethyl)hept-5-en-2-imine

N-cyclohexyl-6-methyl-3-(trifluoromethyl)hept-5-en-2-imine (PubChem CID 162565603) has the molecular formula C15H24F3N and a molecular weight of 275.36 g/mol. Its IUPAC name is N-cyclohexyl-6-methyl-3-(trifluoromethyl)hept-5-en-2-imine.

Molecular Properties

Compound NameN-cyclohexyl-6-methyl-3-(trifluoromethyl)hept-5-en-2-imine
PubChem CID162565603
Molecular FormulaC15H24F3N
Molecular Weight275.36 g/mol
Exact Mass275.19
IUPAC NameN-cyclohexyl-6-methyl-3-(trifluoromethyl)hept-5-en-2-imine
SMILESCC(C)=CCC(/C(C)=N/C1CCCCC1)C(F)(F)F
InChIInChI=1S/C15H24F3N/c1-11(2)9-10-14(15(16,17)18)12(3)19-13-7-5-4-6-8-13/h9,13-14H,4-8,10H2,1-3H3/b19-12+
InChIKeyWUIYGNISOBFGPB-XDHOZWIPSA-N
XLogP5.31
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.36
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-methyl-3-(trifluoromethyl)hept-5-en-2-imine?
The IUPAC name of N-cyclohexyl-6-methyl-3-(trifluoromethyl)hept-5-en-2-imine (CID 162565603) is N-cyclohexyl-6-methyl-3-(trifluoromethyl)hept-5-en-2-imine.
What is the SMILES notation for N-cyclohexyl-6-methyl-3-(trifluoromethyl)hept-5-en-2-imine?
The canonical SMILES for N-cyclohexyl-6-methyl-3-(trifluoromethyl)hept-5-en-2-imine is CC(C)=CCC(/C(C)=N/C1CCCCC1)C(F)(F)F.
What is the InChIKey of N-cyclohexyl-6-methyl-3-(trifluoromethyl)hept-5-en-2-imine?
The InChIKey is WUIYGNISOBFGPB-XDHOZWIPSA-N. The full InChI is InChI=1S/C15H24F3N/c1-11(2)9-10-14(15(16,17)18)12(3)19-13-7-5-4-6-8-13/h9,13-14H,4-8,10H2,1-3H3/b19-12+.
What are the key properties of N-cyclohexyl-6-methyl-3-(trifluoromethyl)hept-5-en-2-imine?
N-cyclohexyl-6-methyl-3-(trifluoromethyl)hept-5-en-2-imine has a molecular weight of 275.36 g/mol, XLogP of 5.31, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-methyl-3-(trifluoromethyl)hept-5-en-2-imine is sourced from PubChem (CID 162565603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).