(6Z)-6-ethylidene-4-fluoro-5-heptan-3-yl-N-methylcyclohex-2-en-1-imine

C16H26FN — CID 123416100

IUPAC(6Z)-6-ethylidene-4-fluoro-5-heptan-3-yl-N-methylcyclohex-2-en-1-imine
SMILESC/C=C1C(=N\C)\C=CC(F)C\1C(CC)CCCC
InChIInChI=1S/C16H26FN/c1-5-8-9-12(6-2)16-13(7-3)15(18-4)11-10-14(16)17/h7,10-12,14,16H,5-6,8-9H2,1-4H3/b13-7+,18-15+
InChIKeyQFAFFXXTCJVTHL-CXTINALRSA-N
MW251.39 g/mol
LogP4.74
Rot. Bonds5

About (6Z)-6-ethylidene-4-fluoro-5-heptan-3-yl-N-methylcyclohex-2-en-1-imine

(6Z)-6-ethylidene-4-fluoro-5-heptan-3-yl-N-methylcyclohex-2-en-1-imine (PubChem CID 123416100) has the molecular formula C16H26FN and a molecular weight of 251.39 g/mol. Its IUPAC name is (6Z)-6-ethylidene-4-fluoro-5-heptan-3-yl-N-methylcyclohex-2-en-1-imine.

Molecular Properties

Compound Name(6Z)-6-ethylidene-4-fluoro-5-heptan-3-yl-N-methylcyclohex-2-en-1-imine
PubChem CID123416100
Molecular FormulaC16H26FN
Molecular Weight251.39 g/mol
Exact Mass251.20
IUPAC Name(6Z)-6-ethylidene-4-fluoro-5-heptan-3-yl-N-methylcyclohex-2-en-1-imine
SMILESC/C=C1C(=N\C)\C=CC(F)C\1C(CC)CCCC
InChIInChI=1S/C16H26FN/c1-5-8-9-12(6-2)16-13(7-3)15(18-4)11-10-14(16)17/h7,10-12,14,16H,5-6,8-9H2,1-4H3/b13-7+,18-15+
InChIKeyQFAFFXXTCJVTHL-CXTINALRSA-N
XLogP4.74
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (6Z)-6-ethylidene-4-fluoro-5-heptan-3-yl-N-methylcyclohex-2-en-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Ethylidene-6-fluoro-6-methyl-5-prop-1-en-2-yloctan-2-imine
CID 91340707
(2R)-5-cyclopropyl-3-ethyl-6-[(4R)-4-fluorocyclohexen-1-yl]-2-methyl-2,3,4,5-tetrahydropyridine
CID 118018671
N-methyl-1-[4-(trifluoromethyl)cyclohexen-1-yl]ethanimine
CID 123865859
1-[(5S)-4-ethyl-5-fluorocyclohex-3-en-1-yl]-N-methylethanimine
CID 126545859
1-(4,4-difluorocyclohexyl)-N-[(Z)-2,4-dimethylpent-2-enyl]-3-methylbut-2-en-1-imine
CID 129066469
2-(2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)-1-[4-(4-fluorobut-1-ynyl)cyclohexa-1,5-dien-1-yl]-N-methylethanimine
CID 134591286
(6Z)-10-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)undeca-1,6-dien-5-imine
CID 153399956
2-methylpropane;(E)-1,1,1-trifluoro-N,5-dimethyl-4-(4-methylcyclohexyl)hex-3-en-2-imine
CID 168907083
(Z,3E)-3-(1-chloro-2-methylprop-2-enylidene)-6-(3,3-difluorocyclohexyl)-N-methylhept-4-en-2-imine
CID 169680290
(5Z,7E)-N-ethyl-8-fluoro-2,4-dimethyl-5-(2-methylbutyl)nona-5,7-dien-3-imine
CID 170260209
(E)-3-butan-2-yl-N-[(1E)-1-fluorobuta-1,3-dienyl]-4,9-dimethyldec-3-en-2-imine
CID 173651074
(5S)-N-ethyl-7-fluoro-5,6-dimethylcyclohept-2-en-1-imine
CID 173683200

Frequently Asked Questions

What is the IUPAC name of (6Z)-6-ethylidene-4-fluoro-5-heptan-3-yl-N-methylcyclohex-2-en-1-imine?
The IUPAC name of (6Z)-6-ethylidene-4-fluoro-5-heptan-3-yl-N-methylcyclohex-2-en-1-imine (CID 123416100) is (6Z)-6-ethylidene-4-fluoro-5-heptan-3-yl-N-methylcyclohex-2-en-1-imine.
What is the SMILES notation for (6Z)-6-ethylidene-4-fluoro-5-heptan-3-yl-N-methylcyclohex-2-en-1-imine?
The canonical SMILES for (6Z)-6-ethylidene-4-fluoro-5-heptan-3-yl-N-methylcyclohex-2-en-1-imine is C/C=C1C(=N\C)\C=CC(F)C\1C(CC)CCCC.
What is the InChIKey of (6Z)-6-ethylidene-4-fluoro-5-heptan-3-yl-N-methylcyclohex-2-en-1-imine?
The InChIKey is QFAFFXXTCJVTHL-CXTINALRSA-N. The full InChI is InChI=1S/C16H26FN/c1-5-8-9-12(6-2)16-13(7-3)15(18-4)11-10-14(16)17/h7,10-12,14,16H,5-6,8-9H2,1-4H3/b13-7+,18-15+.
What are the key properties of (6Z)-6-ethylidene-4-fluoro-5-heptan-3-yl-N-methylcyclohex-2-en-1-imine?
(6Z)-6-ethylidene-4-fluoro-5-heptan-3-yl-N-methylcyclohex-2-en-1-imine has a molecular weight of 251.39 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-ethylidene-4-fluoro-5-heptan-3-yl-N-methylcyclohex-2-en-1-imine is sourced from PubChem (CID 123416100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).