2-[[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]iminomethyl]cyclopenten-1-amine

C16H21F3N2 — CID 178040570

IUPAC2-[[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]iminomethyl]cyclopenten-1-amine
SMILESC/C=C\C(=C/C(=C/CC)C(F)(F)F)\N=C\C1=C(N)CCC1
InChIInChI=1S/C16H21F3N2/c1-3-6-13(16(17,18)19)10-14(7-4-2)21-11-12-8-5-9-15(12)20/h4,6-7,10-11H,3,5,8-9,20H2,1-2H3/b7-4-,13-6-,14-10+,21-11+
InChIKeyIGSONTMNVSAYBP-SZPSPKTRSA-N
MW298.35 g/mol
LogP4.81
Rot. Bonds5

About 2-[[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]iminomethyl]cyclopenten-1-amine

2-[[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]iminomethyl]cyclopenten-1-amine (PubChem CID 178040570) has the molecular formula C16H21F3N2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-[[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]iminomethyl]cyclopenten-1-amine.

Molecular Properties

Compound Name2-[[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]iminomethyl]cyclopenten-1-amine
PubChem CID178040570
Molecular FormulaC16H21F3N2
Molecular Weight298.35 g/mol
Exact Mass298.17
IUPAC Name2-[[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]iminomethyl]cyclopenten-1-amine
SMILESC/C=C\C(=C/C(=C/CC)C(F)(F)F)\N=C\C1=C(N)CCC1
InChIInChI=1S/C16H21F3N2/c1-3-6-13(16(17,18)19)10-14(7-4-2)21-11-12-8-5-9-15(12)20/h4,6-7,10-11H,3,5,8-9,20H2,1-2H3/b7-4-,13-6-,14-10+,21-11+
InChIKeyIGSONTMNVSAYBP-SZPSPKTRSA-N
XLogP4.81
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]iminomethyl]cyclopenten-1-amine with MolForge

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Related Compounds

5-ethenyl-9-fluoro-2-methyl-10-N-methylidene-3-penta-1,3,4-trienyl-4-prop-1-enylideneundeca-2,5,8,10-tetraene-1,10-diimine
CID 123938860
(Z)-4-[(3E,4E,6Z)-3-ethylidene-6-methyl-4-prop-1-en-2-ylocta-1,4,6-trien-2-yl]imino-3-fluorobut-2-en-2-amine
CID 135244533
(2E,6Z)-2-(3,3-difluorobut-1-en-2-yl)-4,5-dimethylidene-8-(methylideneamino)nona-2,6,8-trien-1-amine
CID 166485412
(2E)-2-[(1Z)-1-(ethylideneamino)buta-1,3-dienyl]-3-(fluoromethyl)hexa-2,5-dienimidoyl fluoride
CID 167120260
(Z,4E)-4-[(2E)-2-but-3-en-2-ylidene-1H-pyrrol-3-ylidene]-N,3-dimethyl-2-[4-[[(E)-3-(methylideneamino)-2-(trifluoromethyl)prop-2-enylidene]amino]but-1-en-2-yl]pent-2-en-1-amine
CID 167255954
(E)-2-[[(2Z,4E,6E)-4-amino-2,3-di(ethylidene)-8,8,8-trifluoroocta-4,6-dienylidene]amino]pent-2-enenitrile
CID 173701172
6-Methylidene-3-(3,3,3-trifluoropropylimino)non-4-en-5-amine
CID 173765929
1-[(3Z)-5-ethenyl-6-methylhepta-1,3,5-trien-2-yl]imino-7,7,7-trifluoro-6,6-dimethylhept-2-en-3-amine
CID 173937721
2-(4,4-Difluoroindol-3-yl)ethanamine
CID 175941540
4-[4-(1,1-Difluorobut-3-enyl)cyclohexa-1,3-dien-1-yl]iminohex-2-ene-1,2-diamine
CID 162569566
(Z)-2-[(E)-2-(buta-1,3-dien-2-yliminomethyl)-3,3,3-trifluoroprop-1-enyl]but-2-ene-1,3-diamine
CID 168203154
2-[[(2E,4E,6Z)-3-phosphanyl-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]iminomethyl]cyclohexen-1-amine
CID 178040142

Frequently Asked Questions

What is the IUPAC name of 2-[[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]iminomethyl]cyclopenten-1-amine?
The IUPAC name of 2-[[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]iminomethyl]cyclopenten-1-amine (CID 178040570) is 2-[[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]iminomethyl]cyclopenten-1-amine.
What is the SMILES notation for 2-[[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]iminomethyl]cyclopenten-1-amine?
The canonical SMILES for 2-[[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]iminomethyl]cyclopenten-1-amine is C/C=C\C(=C/C(=C/CC)C(F)(F)F)\N=C\C1=C(N)CCC1.
What is the InChIKey of 2-[[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]iminomethyl]cyclopenten-1-amine?
The InChIKey is IGSONTMNVSAYBP-SZPSPKTRSA-N. The full InChI is InChI=1S/C16H21F3N2/c1-3-6-13(16(17,18)19)10-14(7-4-2)21-11-12-8-5-9-15(12)20/h4,6-7,10-11H,3,5,8-9,20H2,1-2H3/b7-4-,13-6-,14-10+,21-11+.
What are the key properties of 2-[[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]iminomethyl]cyclopenten-1-amine?
2-[[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]iminomethyl]cyclopenten-1-amine has a molecular weight of 298.35 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]iminomethyl]cyclopenten-1-amine is sourced from PubChem (CID 178040570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).