N-[(2E,4E,6E)-1,1,1-trifluoro-2,3,6-trimethyldeca-2,4,6-trien-5-yl]hexan-2-imine

C19H30F3N — CID 153345678

IUPACN-[(2E,4E,6E)-1,1,1-trifluoro-2,3,6-trimethyldeca-2,4,6-trien-5-yl]hexan-2-imine
SMILESCCC/C=C(C)/C(=C\C(C)=C(/C)C(F)(F)F)/N=C(\C)CCCC
InChIInChI=1S/C19H30F3N/c1-7-9-11-14(3)18(23-16(5)12-10-8-2)13-15(4)17(6)19(20,21)22/h11,13H,7-10,12H2,1-6H3/b14-11+,17-15+,18-13+,23-16+
InChIKeyJDRHWKCPIRUDOR-ANLQPWOESA-N
MW329.45 g/mol
LogP7.17
Rot. Bonds8

About N-[(2E,4E,6E)-1,1,1-trifluoro-2,3,6-trimethyldeca-2,4,6-trien-5-yl]hexan-2-imine

N-[(2E,4E,6E)-1,1,1-trifluoro-2,3,6-trimethyldeca-2,4,6-trien-5-yl]hexan-2-imine (PubChem CID 153345678) has the molecular formula C19H30F3N and a molecular weight of 329.45 g/mol. Its IUPAC name is N-[(2E,4E,6E)-1,1,1-trifluoro-2,3,6-trimethyldeca-2,4,6-trien-5-yl]hexan-2-imine.

Molecular Properties

Compound NameN-[(2E,4E,6E)-1,1,1-trifluoro-2,3,6-trimethyldeca-2,4,6-trien-5-yl]hexan-2-imine
PubChem CID153345678
Molecular FormulaC19H30F3N
Molecular Weight329.45 g/mol
Exact Mass329.23
IUPAC NameN-[(2E,4E,6E)-1,1,1-trifluoro-2,3,6-trimethyldeca-2,4,6-trien-5-yl]hexan-2-imine
SMILESCCC/C=C(C)/C(=C\C(C)=C(/C)C(F)(F)F)/N=C(\C)CCCC
InChIInChI=1S/C19H30F3N/c1-7-9-11-14(3)18(23-16(5)12-10-8-2)13-15(4)17(6)19(20,21)22/h11,13H,7-10,12H2,1-6H3/b14-11+,17-15+,18-13+,23-16+
InChIKeyJDRHWKCPIRUDOR-ANLQPWOESA-N
XLogP7.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.45
LogP ≤ 57.17
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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Related Compounds

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7,8-Difluoro-3,10-dimethyl-2-azabicyclo[4.4.1]undeca-1(10),2,6(11),7-tetraene
CID 90809487
N-(5-fluoro-3,6-dimethylnona-1,3,5-trien-2-yl)propan-2-imine
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CID 123691887
(3E,4E)-N-[(2E,4Z)-6-bromo-4-methylhepta-2,4,6-trien-3-yl]-3-ethylidene-1,1,1-trifluoro-4-[(Z)-prop-1-enyl]hepta-4,6-dien-2-imine
CID 129043804
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(E)-N-[(3E,5E)-7,7,7-trifluoro-2,6-dimethylhepta-1,3,5-trien-3-yl]pent-3-en-2-imine
CID 139518460
N-[(2Z,4Z,6E)-3-(difluoromethyl)-5,7-dimethylnona-2,4,6-trien-2-yl]butan-2-imine
CID 139564602
2-tert-butyl-5-[(2E,4E,6Z)-5-(trifluoromethyl)octa-2,4,6-trien-2-yl]-3H-pyrrole
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2-ethyl-5,7-difluoro-3-methyl-8H-cyclohepta[b]pyridine
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CID 166798108

Frequently Asked Questions

What is the IUPAC name of N-[(2E,4E,6E)-1,1,1-trifluoro-2,3,6-trimethyldeca-2,4,6-trien-5-yl]hexan-2-imine?
The IUPAC name of N-[(2E,4E,6E)-1,1,1-trifluoro-2,3,6-trimethyldeca-2,4,6-trien-5-yl]hexan-2-imine (CID 153345678) is N-[(2E,4E,6E)-1,1,1-trifluoro-2,3,6-trimethyldeca-2,4,6-trien-5-yl]hexan-2-imine.
What is the SMILES notation for N-[(2E,4E,6E)-1,1,1-trifluoro-2,3,6-trimethyldeca-2,4,6-trien-5-yl]hexan-2-imine?
The canonical SMILES for N-[(2E,4E,6E)-1,1,1-trifluoro-2,3,6-trimethyldeca-2,4,6-trien-5-yl]hexan-2-imine is CCC/C=C(C)/C(=C\C(C)=C(/C)C(F)(F)F)/N=C(\C)CCCC.
What is the InChIKey of N-[(2E,4E,6E)-1,1,1-trifluoro-2,3,6-trimethyldeca-2,4,6-trien-5-yl]hexan-2-imine?
The InChIKey is JDRHWKCPIRUDOR-ANLQPWOESA-N. The full InChI is InChI=1S/C19H30F3N/c1-7-9-11-14(3)18(23-16(5)12-10-8-2)13-15(4)17(6)19(20,21)22/h11,13H,7-10,12H2,1-6H3/b14-11+,17-15+,18-13+,23-16+.
What are the key properties of N-[(2E,4E,6E)-1,1,1-trifluoro-2,3,6-trimethyldeca-2,4,6-trien-5-yl]hexan-2-imine?
N-[(2E,4E,6E)-1,1,1-trifluoro-2,3,6-trimethyldeca-2,4,6-trien-5-yl]hexan-2-imine has a molecular weight of 329.45 g/mol, XLogP of 7.17, 8 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-2,3,6-trimethyldeca-2,4,6-trien-5-yl]hexan-2-imine is sourced from PubChem (CID 153345678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).