(E)-1,1,1-trifluoro-N,5-dimethyl-4-(4-methylcyclohexyl)hex-3-en-2-imine

C15H24F3N — CID 168907084

IUPAC(E)-1,1,1-trifluoro-N,5-dimethyl-4-(4-methylcyclohexyl)hex-3-en-2-imine
SMILESC/N=C(/C=C(\C(C)C)C1CCC(C)CC1)C(F)(F)F
InChIInChI=1S/C15H24F3N/c1-10(2)13(9-14(19-4)15(16,17)18)12-7-5-11(3)6-8-12/h9-12H,5-8H2,1-4H3/b13-9+,19-14-
InChIKeyFDBKEAORCGBLLK-VOVVEXOKSA-N
MW275.36 g/mol
LogP5.03
Rot. Bonds3

About (E)-1,1,1-trifluoro-N,5-dimethyl-4-(4-methylcyclohexyl)hex-3-en-2-imine

(E)-1,1,1-trifluoro-N,5-dimethyl-4-(4-methylcyclohexyl)hex-3-en-2-imine (PubChem CID 168907084) has the molecular formula C15H24F3N and a molecular weight of 275.36 g/mol. Its IUPAC name is (E)-1,1,1-trifluoro-N,5-dimethyl-4-(4-methylcyclohexyl)hex-3-en-2-imine.

Molecular Properties

Compound Name(E)-1,1,1-trifluoro-N,5-dimethyl-4-(4-methylcyclohexyl)hex-3-en-2-imine
PubChem CID168907084
Molecular FormulaC15H24F3N
Molecular Weight275.36 g/mol
Exact Mass275.19
IUPAC Name(E)-1,1,1-trifluoro-N,5-dimethyl-4-(4-methylcyclohexyl)hex-3-en-2-imine
SMILESC/N=C(/C=C(\C(C)C)C1CCC(C)CC1)C(F)(F)F
InChIInChI=1S/C15H24F3N/c1-10(2)13(9-14(19-4)15(16,17)18)12-7-5-11(3)6-8-12/h9-12H,5-8H2,1-4H3/b13-9+,19-14-
InChIKeyFDBKEAORCGBLLK-VOVVEXOKSA-N
XLogP5.03
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.36
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-1,1,1-trifluoro-N,5-dimethyl-4-(4-methylcyclohexyl)hex-3-en-2-imine with MolForge

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Related Compounds

(6Z)-6-ethylidene-4-fluoro-5-heptan-3-yl-N-methylcyclohex-2-en-1-imine
CID 123416100
N-methyl-1-[4-(trifluoromethyl)cyclohexen-1-yl]ethanimine
CID 123865859
1-[(5S)-4-ethyl-5-fluorocyclohex-3-en-1-yl]-N-methylethanimine
CID 126545859
1-(4,4-difluorocyclohexyl)-N-[(Z)-2,4-dimethylpent-2-enyl]-3-methylbut-2-en-1-imine
CID 129066469
2-methylpropane;(E)-1,1,1-trifluoro-N,5-dimethyl-4-(4-methylcyclohexyl)hex-3-en-2-imine
CID 168907083
(3S)-6-(4,4-difluorocyclohexen-1-yl)-3-methyl-2,3,4,5-tetrahydropyridine
CID 169114371
6-(4,4-Difluorocyclohexen-1-yl)-3-methyl-2,3,4,5-tetrahydropyridine
CID 169750390
(4E)-4-ethylidene-5,5-difluoro-N,2-dimethylheptan-3-imine
CID 171833118
6-(3,4-Dimethyl-3-propan-2-ylpent-4-enyl)-5-(trifluoromethyl)-2,3-dihydropyridine
CID 153339001
(Z)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]but-2-en-1-imine
CID 162588361
N-methyl-3,4-di(propan-2-yl)cyclohex-2-en-1-imine
CID 20631046
2-ethylidene-N-methyl-6-propan-2-ylcyclohexan-1-imine
CID 123724075

Frequently Asked Questions

What is the IUPAC name of (E)-1,1,1-trifluoro-N,5-dimethyl-4-(4-methylcyclohexyl)hex-3-en-2-imine?
The IUPAC name of (E)-1,1,1-trifluoro-N,5-dimethyl-4-(4-methylcyclohexyl)hex-3-en-2-imine (CID 168907084) is (E)-1,1,1-trifluoro-N,5-dimethyl-4-(4-methylcyclohexyl)hex-3-en-2-imine.
What is the SMILES notation for (E)-1,1,1-trifluoro-N,5-dimethyl-4-(4-methylcyclohexyl)hex-3-en-2-imine?
The canonical SMILES for (E)-1,1,1-trifluoro-N,5-dimethyl-4-(4-methylcyclohexyl)hex-3-en-2-imine is C/N=C(/C=C(\C(C)C)C1CCC(C)CC1)C(F)(F)F.
What is the InChIKey of (E)-1,1,1-trifluoro-N,5-dimethyl-4-(4-methylcyclohexyl)hex-3-en-2-imine?
The InChIKey is FDBKEAORCGBLLK-VOVVEXOKSA-N. The full InChI is InChI=1S/C15H24F3N/c1-10(2)13(9-14(19-4)15(16,17)18)12-7-5-11(3)6-8-12/h9-12H,5-8H2,1-4H3/b13-9+,19-14-.
What are the key properties of (E)-1,1,1-trifluoro-N,5-dimethyl-4-(4-methylcyclohexyl)hex-3-en-2-imine?
(E)-1,1,1-trifluoro-N,5-dimethyl-4-(4-methylcyclohexyl)hex-3-en-2-imine has a molecular weight of 275.36 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1-trifluoro-N,5-dimethyl-4-(4-methylcyclohexyl)hex-3-en-2-imine is sourced from PubChem (CID 168907084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).