N'-[(2E,4E,6E)-1,1,1-trifluoro-2,6-dimethyldeca-2,4,6-trien-5-yl]pentanimidamide

C17H27F3N2 — CID 153345700

IUPACN'-[(2E,4E,6E)-1,1,1-trifluoro-2,6-dimethyldeca-2,4,6-trien-5-yl]pentanimidamide
SMILESCCC/C=C(C)/C(=C\C=C(/C)C(F)(F)F)/N=C(/N)CCCC
InChIInChI=1S/C17H27F3N2/c1-5-7-9-13(3)15(22-16(21)10-8-6-2)12-11-14(4)17(18,19)20/h9,11-12H,5-8,10H2,1-4H3,(H2,21,22)/b13-9+,14-11+,15-12+
InChIKeyPFVJTSCUJLHGSD-LNNCEKSTSA-N
MW316.41 g/mol
LogP5.67
Rot. Bonds8

About N'-[(2E,4E,6E)-1,1,1-trifluoro-2,6-dimethyldeca-2,4,6-trien-5-yl]pentanimidamide

N'-[(2E,4E,6E)-1,1,1-trifluoro-2,6-dimethyldeca-2,4,6-trien-5-yl]pentanimidamide (PubChem CID 153345700) has the molecular formula C17H27F3N2 and a molecular weight of 316.41 g/mol. Its IUPAC name is N'-[(2E,4E,6E)-1,1,1-trifluoro-2,6-dimethyldeca-2,4,6-trien-5-yl]pentanimidamide.

Molecular Properties

Compound NameN'-[(2E,4E,6E)-1,1,1-trifluoro-2,6-dimethyldeca-2,4,6-trien-5-yl]pentanimidamide
PubChem CID153345700
Molecular FormulaC17H27F3N2
Molecular Weight316.41 g/mol
Exact Mass316.21
IUPAC NameN'-[(2E,4E,6E)-1,1,1-trifluoro-2,6-dimethyldeca-2,4,6-trien-5-yl]pentanimidamide
SMILESCCC/C=C(C)/C(=C\C=C(/C)C(F)(F)F)/N=C(/N)CCCC
InChIInChI=1S/C17H27F3N2/c1-5-7-9-13(3)15(22-16(21)10-8-6-2)12-11-14(4)17(18,19)20/h9,11-12H,5-8,10H2,1-4H3,(H2,21,22)/b13-9+,14-11+,15-12+
InChIKeyPFVJTSCUJLHGSD-LNNCEKSTSA-N
XLogP5.67
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.41
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1,1,1-trifluoro-2-methylhex-2-ene
CID 54402325
N-[(2E,4E,6E)-2-chloro-3,6-dimethyldeca-2,4,6-trien-5-yl]hexan-2-imine
CID 153345490
(2E,4E)-6,6,6-trifluoro-5-methylhexa-2,4-dien-2-amine
CID 130203930
N,N-dimethyldodecan-1-amine;2-methylhex-2-enamide
CID 173350322
N,N-dimethyldodecan-1-amine;2-methylhex-2-enamide;hydrobromide
CID 173350298
(1E,3E)-1-N'-butyl-5,5,5-trifluoro-1-N,4-dimethyl-1-N'-pentylpenta-1,3-diene-1,1-diamine
CID 142921333
(Z)-5-prop-1-en-2-ylnon-4-ene
CID 177440529
2-methylhex-2-enamide;hydrochloride
CID 141109029
N-[(2E,4E,6E)-6-methyl-2-morpholin-4-yldeca-2,4,6-trien-5-yl]butan-2-imine
CID 153345655
N'-[(Z)-hex-2-en-2-yl]-2,2-dimethylpropanimidamide
CID 126735392
4-butoxy-1,1,1-trifluoro-2-methylbut-2-ene
CID 123790817
(Z)-1,1,1-trifluoro-2-methylpent-2-ene
CID 58901116

Frequently Asked Questions

What is the IUPAC name of N'-[(2E,4E,6E)-1,1,1-trifluoro-2,6-dimethyldeca-2,4,6-trien-5-yl]pentanimidamide?
The IUPAC name of N'-[(2E,4E,6E)-1,1,1-trifluoro-2,6-dimethyldeca-2,4,6-trien-5-yl]pentanimidamide (CID 153345700) is N'-[(2E,4E,6E)-1,1,1-trifluoro-2,6-dimethyldeca-2,4,6-trien-5-yl]pentanimidamide.
What is the SMILES notation for N'-[(2E,4E,6E)-1,1,1-trifluoro-2,6-dimethyldeca-2,4,6-trien-5-yl]pentanimidamide?
The canonical SMILES for N'-[(2E,4E,6E)-1,1,1-trifluoro-2,6-dimethyldeca-2,4,6-trien-5-yl]pentanimidamide is CCC/C=C(C)/C(=C\C=C(/C)C(F)(F)F)/N=C(/N)CCCC.
What is the InChIKey of N'-[(2E,4E,6E)-1,1,1-trifluoro-2,6-dimethyldeca-2,4,6-trien-5-yl]pentanimidamide?
The InChIKey is PFVJTSCUJLHGSD-LNNCEKSTSA-N. The full InChI is InChI=1S/C17H27F3N2/c1-5-7-9-13(3)15(22-16(21)10-8-6-2)12-11-14(4)17(18,19)20/h9,11-12H,5-8,10H2,1-4H3,(H2,21,22)/b13-9+,14-11+,15-12+.
What are the key properties of N'-[(2E,4E,6E)-1,1,1-trifluoro-2,6-dimethyldeca-2,4,6-trien-5-yl]pentanimidamide?
N'-[(2E,4E,6E)-1,1,1-trifluoro-2,6-dimethyldeca-2,4,6-trien-5-yl]pentanimidamide has a molecular weight of 316.41 g/mol, XLogP of 5.67, 8 rotatable bonds, 1 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-2,6-dimethyldeca-2,4,6-trien-5-yl]pentanimidamide is sourced from PubChem (CID 153345700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).