(6E)-6-[1-(1-butan-2-ylcyclopropyl)ethylidene]-N-[(E)-but-1-enyl]-3-fluorocyclohexa-2,4-dien-1-imine

C19H26FN — CID 176962639

IUPAC(6E)-6-[1-(1-butan-2-ylcyclopropyl)ethylidene]-N-[(E)-but-1-enyl]-3-fluorocyclohexa-2,4-dien-1-imine
SMILESCC/C=C/N=C1\C=C(F)C=C\C1=C(\C)C1(C(C)CC)CC1
InChIInChI=1S/C19H26FN/c1-5-7-12-21-18-13-16(20)8-9-17(18)15(4)19(10-11-19)14(3)6-2/h7-9,12-14H,5-6,10-11H2,1-4H3/b12-7+,17-15+,21-18+
InChIKeyZGCQXFXSDQCVCP-AUSPMTFPSA-N
MW287.42 g/mol
LogP5.92
Rot. Bonds5

About (6E)-6-[1-(1-butan-2-ylcyclopropyl)ethylidene]-N-[(E)-but-1-enyl]-3-fluorocyclohexa-2,4-dien-1-imine

(6E)-6-[1-(1-butan-2-ylcyclopropyl)ethylidene]-N-[(E)-but-1-enyl]-3-fluorocyclohexa-2,4-dien-1-imine (PubChem CID 176962639) has the molecular formula C19H26FN and a molecular weight of 287.42 g/mol. Its IUPAC name is (6E)-6-[1-(1-butan-2-ylcyclopropyl)ethylidene]-N-[(E)-but-1-enyl]-3-fluorocyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(6E)-6-[1-(1-butan-2-ylcyclopropyl)ethylidene]-N-[(E)-but-1-enyl]-3-fluorocyclohexa-2,4-dien-1-imine
PubChem CID176962639
Molecular FormulaC19H26FN
Molecular Weight287.42 g/mol
Exact Mass287.20
IUPAC Name(6E)-6-[1-(1-butan-2-ylcyclopropyl)ethylidene]-N-[(E)-but-1-enyl]-3-fluorocyclohexa-2,4-dien-1-imine
SMILESCC/C=C/N=C1\C=C(F)C=C\C1=C(\C)C1(C(C)CC)CC1
InChIInChI=1S/C19H26FN/c1-5-7-12-21-18-13-16(20)8-9-17(18)15(4)19(10-11-19)14(3)6-2/h7-9,12-14H,5-6,10-11H2,1-4H3/b12-7+,17-15+,21-18+
InChIKeyZGCQXFXSDQCVCP-AUSPMTFPSA-N
XLogP5.92
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.42
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-10-(1-but-1-enyl-2-ethylcyclopropyl)-4-ethylidene-7-fluoro-5,6,6-trimethyl-9,10-dihydrobenzo[h]quinoline
CID 144427813
3-(1-But-1-enyl-2-ethylcyclopropyl)-6-fluoro-8,8,10,10-tetramethyl-15-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),5,9(16),11,13-hexaene
CID 155300341
(4Z)-10-(1-but-1-enyl-2-ethylcyclopropyl)-4-ethylidene-7-fluoro-5,6,6,8-tetramethyl-9,10-dihydrobenzo[h]quinoline
CID 156706395
(6E,7E)-N-ethenyl-3-ethyl-2-fluoro-8-(2-fluoropropan-2-yl)-2-methyl-6-propylidenedeca-7,9-dien-5-imine
CID 166651414
N-[(1Z,4E)-4-[4-(2,2-difluoroethyl)cyclohexa-1,5-dien-1-yl]hexa-1,4-dienyl]-3-methylbut-3-en-2-imine
CID 169622900
(6E)-2-fluoro-N-methyl-6-[1-(1-methylcyclopropyl)-2-methylidenebutylidene]cyclohexa-2,4-dien-1-imine
CID 176962375
(6E)-N-ethenyl-6-[1-(1-ethylcyclopropyl)ethylidene]-3-fluorocyclohexa-2,4-dien-1-imine
CID 176962611
(6E)-6-[1-(1-butan-2-ylcyclopropyl)ethylidene]-N-ethenyl-2-fluorocyclohexa-2,4-dien-1-imine
CID 176962942
1-[6-(2-fluoro-3-methylhex-4-en-3-yl)cyclohexa-1,3-dien-1-yl]-N-[(E)-2-fluoroprop-1-enyl]ethanimine
CID 142357536
(Z)-N-ethenyl-3-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-4,5-dimethylhept-3-en-2-imine
CID 144383744
(6E)-N-ethenyl-3-fluoro-6-[1-(1-methylcyclopropyl)ethylidene]cyclohexa-2,4-dien-1-imine
CID 176961924
N-[(E)-pent-1-enyl]-1-(2,3,4-trimethylcyclohexa-1,5-dien-1-yl)ethanimine
CID 126593885

Frequently Asked Questions

What is the IUPAC name of (6E)-6-[1-(1-butan-2-ylcyclopropyl)ethylidene]-N-[(E)-but-1-enyl]-3-fluorocyclohexa-2,4-dien-1-imine?
The IUPAC name of (6E)-6-[1-(1-butan-2-ylcyclopropyl)ethylidene]-N-[(E)-but-1-enyl]-3-fluorocyclohexa-2,4-dien-1-imine (CID 176962639) is (6E)-6-[1-(1-butan-2-ylcyclopropyl)ethylidene]-N-[(E)-but-1-enyl]-3-fluorocyclohexa-2,4-dien-1-imine.
What is the SMILES notation for (6E)-6-[1-(1-butan-2-ylcyclopropyl)ethylidene]-N-[(E)-but-1-enyl]-3-fluorocyclohexa-2,4-dien-1-imine?
The canonical SMILES for (6E)-6-[1-(1-butan-2-ylcyclopropyl)ethylidene]-N-[(E)-but-1-enyl]-3-fluorocyclohexa-2,4-dien-1-imine is CC/C=C/N=C1\C=C(F)C=C\C1=C(\C)C1(C(C)CC)CC1.
What is the InChIKey of (6E)-6-[1-(1-butan-2-ylcyclopropyl)ethylidene]-N-[(E)-but-1-enyl]-3-fluorocyclohexa-2,4-dien-1-imine?
The InChIKey is ZGCQXFXSDQCVCP-AUSPMTFPSA-N. The full InChI is InChI=1S/C19H26FN/c1-5-7-12-21-18-13-16(20)8-9-17(18)15(4)19(10-11-19)14(3)6-2/h7-9,12-14H,5-6,10-11H2,1-4H3/b12-7+,17-15+,21-18+.
What are the key properties of (6E)-6-[1-(1-butan-2-ylcyclopropyl)ethylidene]-N-[(E)-but-1-enyl]-3-fluorocyclohexa-2,4-dien-1-imine?
(6E)-6-[1-(1-butan-2-ylcyclopropyl)ethylidene]-N-[(E)-but-1-enyl]-3-fluorocyclohexa-2,4-dien-1-imine has a molecular weight of 287.42 g/mol, XLogP of 5.92, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-[1-(1-butan-2-ylcyclopropyl)ethylidene]-N-[(E)-but-1-enyl]-3-fluorocyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 176962639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).