(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

C18H25FN2 — CID 135244533

IUPAC(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
SMILESC=C(C)C(=C\C(C)=C/C)/C(=C\C)C(=C)/N=C/C(F)=C(\C)N
InChIInChI=1S/C18H25FN2/c1-8-13(5)10-17(12(3)4)16(9-2)15(7)21-11-18(19)14(6)20/h8-11H,3,7,20H2,1-2,4-6H3/b13-8-,16-9-,17-10+,18-14-,21-11+
InChIKeySOYVNRAPTHLFEP-ITFVSAABSA-N
MW288.41 g/mol
LogP5.15
Rot. Bonds6

About (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

(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 (PubChem CID 135244533) has the molecular formula C18H25FN2 and a molecular weight of 288.41 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID135244533
Molecular FormulaC18H25FN2
Molecular Weight288.41 g/mol
Exact Mass288.20
IUPAC Name(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
SMILESC=C(C)C(=C\C(C)=C/C)/C(=C\C)C(=C)/N=C/C(F)=C(\C)N
InChIInChI=1S/C18H25FN2/c1-8-13(5)10-17(12(3)4)16(9-2)15(7)21-11-18(19)14(6)20/h8-11H,3,7,20H2,1-2,4-6H3/b13-8-,16-9-,17-10+,18-14-,21-11+
InChIKeySOYVNRAPTHLFEP-ITFVSAABSA-N
XLogP5.15
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.41
LogP ≤ 55.15
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 (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 with MolForge

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Launch Full Analysis

Related Compounds

4-Fluoro-1-(5-methyl-4-methylideneazepin-2-yl)butan-1-imine
CID 123400945
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
(3E,6Z)-6-[(E)-1-fluoro-2-(methylideneamino)ethenyl]-5-propan-2-ylideneundeca-1,3,6,10-tetraen-3-amine
CID 134380590
(Z)-3-fluoro-4-[1-[(4Z)-1-methyl-4-[(Z)-2-methylbut-2-enylidene]-5-methylidenepyrrol-3-yl]ethenylimino]but-2-en-2-amine
CID 135244534
(2E,6Z)-2-(3,3-difluorobut-1-en-2-yl)-4,5-dimethylidene-8-(methylideneamino)nona-2,6,8-trien-1-amine
CID 166485412
1-(3-Fluoroprop-1-en-2-ylimino)-4-methylhexa-2,4-diene-2,5-diamine
CID 173718866
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-[[(2E,4E,6Z)-3-phosphanyl-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]iminomethyl]cyclohexen-1-amine
CID 178040142
2-[[(2E,4E,6Z)-3-(fluoromethyl)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]iminomethyl]cyclopenten-1-amine
CID 178040401
2-[[(2E,4E,6Z)-3-fluoro-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]iminomethyl]cyclohexen-1-amine
CID 178040556
2-[[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]iminomethyl]cyclopenten-1-amine
CID 178040570
4-[[[(E)-3-(4-aminocyclohexa-1,3-dien-1-yl)prop-2-enylidene]amino]methyl]-6-methylcyclohexa-1,3-dien-1-amine
CID 129254493

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C=C(C)C(=C\C(C)=C/C)/C(=C\C)C(=C)/N=C/C(F)=C(\C)N.
What is the InChIKey of (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?
The InChIKey is SOYVNRAPTHLFEP-ITFVSAABSA-N. The full InChI is InChI=1S/C18H25FN2/c1-8-13(5)10-17(12(3)4)16(9-2)15(7)21-11-18(19)14(6)20/h8-11H,3,7,20H2,1-2,4-6H3/b13-8-,16-9-,17-10+,18-14-,21-11+.
What are the key properties of (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?
(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 has a molecular weight of 288.41 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 135244533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).