N-[(1Z,3Z,5E)-2,3-dimethylhepta-1,3,5-trienyl]-3-methyl-5-(trifluoromethyl)aniline

C17H20F3N — CID 143881938

IUPACN-[(1Z,3Z,5E)-2,3-dimethylhepta-1,3,5-trienyl]-3-methyl-5-(trifluoromethyl)aniline
SMILESC/C=C/C=C(C)\C(C)=C/Nc1cc(C)cc(C(F)(F)F)c1
InChIInChI=1S/C17H20F3N/c1-5-6-7-13(3)14(4)11-21-16-9-12(2)8-15(10-16)17(18,19)20/h5-11,21H,1-4H3/b6-5+,13-7-,14-11-
InChIKeyWUBHMDLJSZWHNB-RPTQVTDJSA-N
MW295.35 g/mol
LogP5.85
Rot. Bonds4

About N-[(1Z,3Z,5E)-2,3-dimethylhepta-1,3,5-trienyl]-3-methyl-5-(trifluoromethyl)aniline

N-[(1Z,3Z,5E)-2,3-dimethylhepta-1,3,5-trienyl]-3-methyl-5-(trifluoromethyl)aniline (PubChem CID 143881938) has the molecular formula C17H20F3N and a molecular weight of 295.35 g/mol. Its IUPAC name is N-[(1Z,3Z,5E)-2,3-dimethylhepta-1,3,5-trienyl]-3-methyl-5-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[(1Z,3Z,5E)-2,3-dimethylhepta-1,3,5-trienyl]-3-methyl-5-(trifluoromethyl)aniline
PubChem CID143881938
Molecular FormulaC17H20F3N
Molecular Weight295.35 g/mol
Exact Mass295.15
IUPAC NameN-[(1Z,3Z,5E)-2,3-dimethylhepta-1,3,5-trienyl]-3-methyl-5-(trifluoromethyl)aniline
SMILESC/C=C/C=C(C)\C(C)=C/Nc1cc(C)cc(C(F)(F)F)c1
InChIInChI=1S/C17H20F3N/c1-5-6-7-13(3)14(4)11-21-16-9-12(2)8-15(10-16)17(18,19)20/h5-11,21H,1-4H3/b6-5+,13-7-,14-11-
InChIKeyWUBHMDLJSZWHNB-RPTQVTDJSA-N
XLogP5.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.35
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[3-methyl-5-(trifluoromethyl)phenyl]formamide
CID 58761830
N-tert-butyl-3-methyl-5-(trifluoromethyl)aniline
CID 118333519
1,3-dimethyl-5-(trifluoromethyl)benzene;ethane
CID 143497301
(E)-3-[3,5-bis(trifluoromethyl)anilino]-2-methylsulfonylprop-2-enenitrile
CID 134100309
1-methyl-3-[(E)-prop-1-enyl]-5-(trifluoromethyl)benzene
CID 139526492
N-[2-(4-methylphenyl)sulfonyl-2-nitroethenyl]-3,5-bis(trifluoromethyl)aniline
CID 3788859
1-methyl-3,5-bis(trifluoromethyl)benzene;propane;prop-1-ene
CID 145201590
N-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanimine
CID 138698853
N-ethenyl-3,5-bis(trifluoromethyl)aniline
CID 163887176
N-[3,5-bis(trifluoromethyl)phenyl]formamide
CID 11322837
(2E)-2-[[3,5-bis(trifluoromethyl)anilino]methylidene]-4,4-dimethyl-3-oxopentanenitrile
CID 2819446
bis(3,5-dimethylphenyl)-[3-methyl-5-(trifluoromethyl)phenyl]sulfanium
CID 163603392

Frequently Asked Questions

What is the IUPAC name of N-[(1Z,3Z,5E)-2,3-dimethylhepta-1,3,5-trienyl]-3-methyl-5-(trifluoromethyl)aniline?
The IUPAC name of N-[(1Z,3Z,5E)-2,3-dimethylhepta-1,3,5-trienyl]-3-methyl-5-(trifluoromethyl)aniline (CID 143881938) is N-[(1Z,3Z,5E)-2,3-dimethylhepta-1,3,5-trienyl]-3-methyl-5-(trifluoromethyl)aniline.
What is the SMILES notation for N-[(1Z,3Z,5E)-2,3-dimethylhepta-1,3,5-trienyl]-3-methyl-5-(trifluoromethyl)aniline?
The canonical SMILES for N-[(1Z,3Z,5E)-2,3-dimethylhepta-1,3,5-trienyl]-3-methyl-5-(trifluoromethyl)aniline is C/C=C/C=C(C)\C(C)=C/Nc1cc(C)cc(C(F)(F)F)c1.
What is the InChIKey of N-[(1Z,3Z,5E)-2,3-dimethylhepta-1,3,5-trienyl]-3-methyl-5-(trifluoromethyl)aniline?
The InChIKey is WUBHMDLJSZWHNB-RPTQVTDJSA-N. The full InChI is InChI=1S/C17H20F3N/c1-5-6-7-13(3)14(4)11-21-16-9-12(2)8-15(10-16)17(18,19)20/h5-11,21H,1-4H3/b6-5+,13-7-,14-11-.
What are the key properties of N-[(1Z,3Z,5E)-2,3-dimethylhepta-1,3,5-trienyl]-3-methyl-5-(trifluoromethyl)aniline?
N-[(1Z,3Z,5E)-2,3-dimethylhepta-1,3,5-trienyl]-3-methyl-5-(trifluoromethyl)aniline has a molecular weight of 295.35 g/mol, XLogP of 5.85, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3Z,5E)-2,3-dimethylhepta-1,3,5-trienyl]-3-methyl-5-(trifluoromethyl)aniline is sourced from PubChem (CID 143881938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).