(3E,5E)-3-ethenyl-N-(2-methylprop-1-enyl)-6-(trifluoromethyl)nona-3,5-dien-2-imine

C16H22F3N — CID 156184674

IUPAC(3E,5E)-3-ethenyl-N-(2-methylprop-1-enyl)-6-(trifluoromethyl)nona-3,5-dien-2-imine
SMILESCCC/C(=C\C=C(/C=C)\C(=NC=C(C)C)C)/C(F)(F)F
InChIInChI=1S/C16H22F3N/c1-6-8-15(16(17,18)19)10-9-14(7-2)13(5)20-11-12(3)4/h7,9-11H,2,6,8H2,1,3-5H3/b14-9+,15-10+,20-13?
InChIKeyRHYJTWUYHRWCSG-JTZBXITCSA-N
MW285.35 g/mol
LogP5.90
Rot. Bonds6

About (3E,5E)-3-ethenyl-N-(2-methylprop-1-enyl)-6-(trifluoromethyl)nona-3,5-dien-2-imine

(3E,5E)-3-ethenyl-N-(2-methylprop-1-enyl)-6-(trifluoromethyl)nona-3,5-dien-2-imine (PubChem CID 156184674) has the molecular formula C16H22F3N and a molecular weight of 285.35 g/mol. Its IUPAC name is (3E,5E)-3-ethenyl-N-(2-methylprop-1-enyl)-6-(trifluoromethyl)nona-3,5-dien-2-imine.

Molecular Properties

Compound Name(3E,5E)-3-ethenyl-N-(2-methylprop-1-enyl)-6-(trifluoromethyl)nona-3,5-dien-2-imine
PubChem CID156184674
Molecular FormulaC16H22F3N
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC Name(3E,5E)-3-ethenyl-N-(2-methylprop-1-enyl)-6-(trifluoromethyl)nona-3,5-dien-2-imine
SMILESCCC/C(=C\C=C(/C=C)\C(=NC=C(C)C)C)/C(F)(F)F
InChIInChI=1S/C16H22F3N/c1-6-8-15(16(17,18)19)10-9-14(7-2)13(5)20-11-12(3)4/h7,9-11H,2,6,8H2,1,3-5H3/b14-9+,15-10+,20-13?
InChIKeyRHYJTWUYHRWCSG-JTZBXITCSA-N
XLogP5.90
TPSA12.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity445

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.35
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3E,5E)-3-ethenyl-N-(2-methylprop-1-enyl)-6-(trifluoromethyl)nona-3,5-dien-2-imine with MolForge

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Related Compounds

(Z)-6,6-difluoro-N-methyl-5-methylidenehept-3-en-2-imine
CID 91123661
(4Z,8Z)-11,11-difluoro-N-(2-iminopropyl)-3,6,7,10-tetramethylidenedodeca-4,8-dien-2-imine
CID 123445499
3-methyl-N-[(1E,3Z)-3-methyl-2-(1,1,2-trifluoroethyl)penta-1,3-dienyl]hexan-2-imine
CID 123544900
(3E)-N-ethyl-4-(trifluoromethyl)hexa-3,5-dien-2-imine
CID 123705581
N-[(1Z,3E,5E)-7-fluoro-4,5-dimethyl-2-prop-1-en-2-ylnona-1,3,5,7-tetraenyl]propan-2-imine
CID 123854580
7,7,7-trifluoro-N-[(3Z,5Z)-5-methylocta-3,5-dienyl]heptan-2-imine
CID 130182822
(3E)-3-fluoro-4-[[(5Z)-6-methyl-3-methylidene-4-propan-2-ylideneocta-5,7-dien-2-ylidene]amino]buta-1,3-dien-2-amine
CID 130336733
2-[(2Z,4Z)-3-fluorohexa-2,4-dien-2-yl]-3,8-dimethylideneazecine
CID 130341015
(3E,4E)-3-ethylidene-N-methyl-5-(trifluoromethyl)hepta-4,6-dien-2-imine
CID 135190182
(2Z,7Z)-3-methyl-9-(trifluoromethyl)-5,6-dihydro-4H-azonine
CID 135292598
(4Z)-N-butan-2-yl-1,1,1-trifluoro-6-methylhepta-4,6-dien-2-imine
CID 139506661
(Z)-N-[(1Z)-buta-1,3-dienyl]-3,6,7-trimethylidene-9-(4,4,5,5-tetrafluoro-2-methylcyclohexen-1-yl)non-8-en-2-imine
CID 139563424

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-3-ethenyl-N-(2-methylprop-1-enyl)-6-(trifluoromethyl)nona-3,5-dien-2-imine?
The IUPAC name of (3E,5E)-3-ethenyl-N-(2-methylprop-1-enyl)-6-(trifluoromethyl)nona-3,5-dien-2-imine (CID 156184674) is (3E,5E)-3-ethenyl-N-(2-methylprop-1-enyl)-6-(trifluoromethyl)nona-3,5-dien-2-imine.
What is the SMILES notation for (3E,5E)-3-ethenyl-N-(2-methylprop-1-enyl)-6-(trifluoromethyl)nona-3,5-dien-2-imine?
The canonical SMILES for (3E,5E)-3-ethenyl-N-(2-methylprop-1-enyl)-6-(trifluoromethyl)nona-3,5-dien-2-imine is CCC/C(=C\C=C(/C=C)\C(=NC=C(C)C)C)/C(F)(F)F.
What is the InChIKey of (3E,5E)-3-ethenyl-N-(2-methylprop-1-enyl)-6-(trifluoromethyl)nona-3,5-dien-2-imine?
The InChIKey is RHYJTWUYHRWCSG-JTZBXITCSA-N. The full InChI is InChI=1S/C16H22F3N/c1-6-8-15(16(17,18)19)10-9-14(7-2)13(5)20-11-12(3)4/h7,9-11H,2,6,8H2,1,3-5H3/b14-9+,15-10+,20-13?.
What are the key properties of (3E,5E)-3-ethenyl-N-(2-methylprop-1-enyl)-6-(trifluoromethyl)nona-3,5-dien-2-imine?
(3E,5E)-3-ethenyl-N-(2-methylprop-1-enyl)-6-(trifluoromethyl)nona-3,5-dien-2-imine has a molecular weight of 285.35 g/mol, XLogP of 5.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-3-ethenyl-N-(2-methylprop-1-enyl)-6-(trifluoromethyl)nona-3,5-dien-2-imine is sourced from PubChem (CID 156184674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).