4-methyl-N-[(2Z,4E)-4-(trifluoromethyl)hepta-2,4-dienyl]cyclohept-2-en-1-amine

C16H24F3N — CID 138662155

IUPAC4-methyl-N-[(2Z,4E)-4-(trifluoromethyl)hepta-2,4-dienyl]cyclohept-2-en-1-amine
SMILESCC/C=C(\C=C/CNC1C=CC(C)CCC1)C(F)(F)F
InChIInChI=1S/C16H24F3N/c1-3-6-14(16(17,18)19)8-5-12-20-15-9-4-7-13(2)10-11-15/h5-6,8,10-11,13,15,20H,3-4,7,9,12H2,1-2H3/b8-5-,14-6+
InChIKeyAEPJGLFCQHAFLI-RJANOSGQSA-N
MW287.37 g/mol
LogP4.78
Rot. Bonds5

About 4-methyl-N-[(2Z,4E)-4-(trifluoromethyl)hepta-2,4-dienyl]cyclohept-2-en-1-amine

4-methyl-N-[(2Z,4E)-4-(trifluoromethyl)hepta-2,4-dienyl]cyclohept-2-en-1-amine (PubChem CID 138662155) has the molecular formula C16H24F3N and a molecular weight of 287.37 g/mol. Its IUPAC name is 4-methyl-N-[(2Z,4E)-4-(trifluoromethyl)hepta-2,4-dienyl]cyclohept-2-en-1-amine.

Molecular Properties

Compound Name4-methyl-N-[(2Z,4E)-4-(trifluoromethyl)hepta-2,4-dienyl]cyclohept-2-en-1-amine
PubChem CID138662155
Molecular FormulaC16H24F3N
Molecular Weight287.37 g/mol
Exact Mass287.19
IUPAC Name4-methyl-N-[(2Z,4E)-4-(trifluoromethyl)hepta-2,4-dienyl]cyclohept-2-en-1-amine
SMILESCC/C=C(\C=C/CNC1C=CC(C)CCC1)C(F)(F)F
InChIInChI=1S/C16H24F3N/c1-3-6-14(16(17,18)19)8-5-12-20-15-9-4-7-13(2)10-11-15/h5-6,8,10-11,13,15,20H,3-4,7,9,12H2,1-2H3/b8-5-,14-6+
InChIKeyAEPJGLFCQHAFLI-RJANOSGQSA-N
XLogP4.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-4-methyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine
CID 70327342
N-[1-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethyl]propan-1-amine
CID 70842357
(2R,3R)-3-ethyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine
CID 70903487
(4R,6Z,8E)-6-ethyl-8-fluoro-4-methyl-N-[(4Z,6Z)-6-methyl-3-methylideneocta-4,6-dien-2-yl]undeca-1,6,8,10-tetraen-2-amine
CID 88997990
6-(1,1-Difluoroethyl)-4-propan-2-yl-1,2,3,6-tetrahydropyridine
CID 118357208
7-(3,6-Difluorocyclohexa-1,5-dien-1-yl)-2-hept-5-en-3-yl-4-methyl-1,2,3,10-tetrahydroazecine
CID 123154189
3-ethylidene-5-methyl-4-prop-1-enyl-N-[4-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]butyl]hepta-4,6-dien-2-amine
CID 123464797
N-[(2-ethenyl-4,4-diethyl-5-fluorocyclohepten-1-yl)methyl]-4,8-diethyl-6-fluoro-2,2-dimethylcyclooctan-1-amine
CID 123543728
N-[(2-ethenyl-4-ethyl-5-fluoro-4-pentylcyclohept-2-en-1-yl)methyl]-2,3,8-trimethyl-7-propylcyclooct-2-en-1-amine
CID 123673126
N-[(3Z,5E)-8,8,8-trifluoro-3-[(Z)-prop-1-enyl]octa-3,5-dienyl]cyclohexanamine
CID 126728484
7,9-difluoro-N,4-dimethyl-6-methylideneundeca-7,10-dien-1-amine
CID 130243324
N-butyl-4-[(6E,8E)-9-fluoro-5,6-dimethylundeca-6,8-dien-2-yl]cycloheptan-1-amine
CID 130256882

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2Z,4E)-4-(trifluoromethyl)hepta-2,4-dienyl]cyclohept-2-en-1-amine?
The IUPAC name of 4-methyl-N-[(2Z,4E)-4-(trifluoromethyl)hepta-2,4-dienyl]cyclohept-2-en-1-amine (CID 138662155) is 4-methyl-N-[(2Z,4E)-4-(trifluoromethyl)hepta-2,4-dienyl]cyclohept-2-en-1-amine.
What is the SMILES notation for 4-methyl-N-[(2Z,4E)-4-(trifluoromethyl)hepta-2,4-dienyl]cyclohept-2-en-1-amine?
The canonical SMILES for 4-methyl-N-[(2Z,4E)-4-(trifluoromethyl)hepta-2,4-dienyl]cyclohept-2-en-1-amine is CC/C=C(\C=C/CNC1C=CC(C)CCC1)C(F)(F)F.
What is the InChIKey of 4-methyl-N-[(2Z,4E)-4-(trifluoromethyl)hepta-2,4-dienyl]cyclohept-2-en-1-amine?
The InChIKey is AEPJGLFCQHAFLI-RJANOSGQSA-N. The full InChI is InChI=1S/C16H24F3N/c1-3-6-14(16(17,18)19)8-5-12-20-15-9-4-7-13(2)10-11-15/h5-6,8,10-11,13,15,20H,3-4,7,9,12H2,1-2H3/b8-5-,14-6+.
What are the key properties of 4-methyl-N-[(2Z,4E)-4-(trifluoromethyl)hepta-2,4-dienyl]cyclohept-2-en-1-amine?
4-methyl-N-[(2Z,4E)-4-(trifluoromethyl)hepta-2,4-dienyl]cyclohept-2-en-1-amine has a molecular weight of 287.37 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2Z,4E)-4-(trifluoromethyl)hepta-2,4-dienyl]cyclohept-2-en-1-amine is sourced from PubChem (CID 138662155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).