4-(3-fluoro-4-methylcyclopenta-1,4-dien-1-yl)-N-[2-propylimino-1-(2,3,4,5-tetrahydropyridin-3-yl)ethyl]cyclohex-2-en-1-imine

C22H30FN3 — CID 123345292

IUPAC4-(3-fluoro-4-methylcyclopenta-1,4-dien-1-yl)-N-[2-propylimino-1-(2,3,4,5-tetrahydropyridin-3-yl)ethyl]cyclohex-2-en-1-imine
SMILESCCC/N=C/C(/N=C1/C=CC(C2=CC(F)C(C)=C2)CC1)C1CCC=NC1
InChIInChI=1S/C22H30FN3/c1-3-10-24-15-22(18-5-4-11-25-14-18)26-20-8-6-17(7-9-20)19-12-16(2)21(23)13-19/h6,8,11-13,15,17-18,21-22H,3-5,7,9-10,14H2,1-2H3/b24-15+,26-20-
InChIKeyIJZDCTVUDXFCNV-XSSNOMJDSA-N
MW355.50 g/mol
LogP4.95
Rot. Bonds6

About 4-(3-fluoro-4-methylcyclopenta-1,4-dien-1-yl)-N-[2-propylimino-1-(2,3,4,5-tetrahydropyridin-3-yl)ethyl]cyclohex-2-en-1-imine

4-(3-fluoro-4-methylcyclopenta-1,4-dien-1-yl)-N-[2-propylimino-1-(2,3,4,5-tetrahydropyridin-3-yl)ethyl]cyclohex-2-en-1-imine (PubChem CID 123345292) has the molecular formula C22H30FN3 and a molecular weight of 355.50 g/mol. Its IUPAC name is 4-(3-fluoro-4-methylcyclopenta-1,4-dien-1-yl)-N-[2-propylimino-1-(2,3,4,5-tetrahydropyridin-3-yl)ethyl]cyclohex-2-en-1-imine.

Molecular Properties

Compound Name4-(3-fluoro-4-methylcyclopenta-1,4-dien-1-yl)-N-[2-propylimino-1-(2,3,4,5-tetrahydropyridin-3-yl)ethyl]cyclohex-2-en-1-imine
PubChem CID123345292
Molecular FormulaC22H30FN3
Molecular Weight355.50 g/mol
Exact Mass355.24
IUPAC Name4-(3-fluoro-4-methylcyclopenta-1,4-dien-1-yl)-N-[2-propylimino-1-(2,3,4,5-tetrahydropyridin-3-yl)ethyl]cyclohex-2-en-1-imine
SMILESCCC/N=C/C(/N=C1/C=CC(C2=CC(F)C(C)=C2)CC1)C1CCC=NC1
InChIInChI=1S/C22H30FN3/c1-3-10-24-15-22(18-5-4-11-25-14-18)26-20-8-6-17(7-9-20)19-12-16(2)21(23)13-19/h6,8,11-13,15,17-18,21-22H,3-5,7,9-10,14H2,1-2H3/b24-15+,26-20-
InChIKeyIJZDCTVUDXFCNV-XSSNOMJDSA-N
XLogP4.95
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.50
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(3-fluoro-4-methylcyclopenta-1,4-dien-1-yl)-N-[2-propylimino-1-(2,3,4,5-tetrahydropyridin-3-yl)ethyl]cyclohex-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

4-[(2-fluoro-5-prop-2-enylcyclohexa-2,4-dien-1-yl)methyl]-3-methyl-2-[(Z)-2-methylpent-1-enyl]-2,3-dihydropyridine
CID 134299385
[(4E,5Z)-4-ethylidene-7-methyl-3-methylideneocta-5,7-dienyl]cyclohexane;5-[3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-5-yl]-2,3-dihydropyridine
CID 143484811
2-(4-chlorocyclohexa-2,4-dien-1-yl)-5-(2,6-difluorocyclohexa-1,3-dien-1-yl)-3-methyl-3,4-dihydro-2H-pyrrole
CID 163990145
ethane;3-[[2-[(E)-2-(4-methylcyclopenta-1,3-dien-1-yl)ethenyl]-2H-pyrrol-5-yl]methyl]-2,3-dihydropyridine
CID 142259552
2,5-di(cyclohexa-2,4-dien-1-yl)-4-ethyl-2H-pyrrole
CID 145055819
1-cyclohexa-1,5-dien-1-yl-N-[(1R)-1-cyclohex-3-en-1-ylethyl]ethanimine
CID 146662317
3-butyl-6-propan-2-yl-4-(2-propan-2-yl-2H-pyrrol-4-yl)-2,3-dihydropyridine
CID 169836359
2-methyl-3-[2-methyl-1-(2-methyl-2H-indol-3-yl)propyl]-2H-indole
CID 24870719
2-[2-(4-methylcyclohexa-2,4-dien-1-yl)ethyl]-2H-pyridine
CID 91135167
3-[[2-[(E)-2-(4-methylcyclopenta-1,3-dien-1-yl)ethenyl]-2H-pyrrol-5-yl]methyl]-2,3-dihydropyridine
CID 142259553

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-methylcyclopenta-1,4-dien-1-yl)-N-[2-propylimino-1-(2,3,4,5-tetrahydropyridin-3-yl)ethyl]cyclohex-2-en-1-imine?
The IUPAC name of 4-(3-fluoro-4-methylcyclopenta-1,4-dien-1-yl)-N-[2-propylimino-1-(2,3,4,5-tetrahydropyridin-3-yl)ethyl]cyclohex-2-en-1-imine (CID 123345292) is 4-(3-fluoro-4-methylcyclopenta-1,4-dien-1-yl)-N-[2-propylimino-1-(2,3,4,5-tetrahydropyridin-3-yl)ethyl]cyclohex-2-en-1-imine.
What is the SMILES notation for 4-(3-fluoro-4-methylcyclopenta-1,4-dien-1-yl)-N-[2-propylimino-1-(2,3,4,5-tetrahydropyridin-3-yl)ethyl]cyclohex-2-en-1-imine?
The canonical SMILES for 4-(3-fluoro-4-methylcyclopenta-1,4-dien-1-yl)-N-[2-propylimino-1-(2,3,4,5-tetrahydropyridin-3-yl)ethyl]cyclohex-2-en-1-imine is CCC/N=C/C(/N=C1/C=CC(C2=CC(F)C(C)=C2)CC1)C1CCC=NC1.
What is the InChIKey of 4-(3-fluoro-4-methylcyclopenta-1,4-dien-1-yl)-N-[2-propylimino-1-(2,3,4,5-tetrahydropyridin-3-yl)ethyl]cyclohex-2-en-1-imine?
The InChIKey is IJZDCTVUDXFCNV-XSSNOMJDSA-N. The full InChI is InChI=1S/C22H30FN3/c1-3-10-24-15-22(18-5-4-11-25-14-18)26-20-8-6-17(7-9-20)19-12-16(2)21(23)13-19/h6,8,11-13,15,17-18,21-22H,3-5,7,9-10,14H2,1-2H3/b24-15+,26-20-.
What are the key properties of 4-(3-fluoro-4-methylcyclopenta-1,4-dien-1-yl)-N-[2-propylimino-1-(2,3,4,5-tetrahydropyridin-3-yl)ethyl]cyclohex-2-en-1-imine?
4-(3-fluoro-4-methylcyclopenta-1,4-dien-1-yl)-N-[2-propylimino-1-(2,3,4,5-tetrahydropyridin-3-yl)ethyl]cyclohex-2-en-1-imine has a molecular weight of 355.50 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-methylcyclopenta-1,4-dien-1-yl)-N-[2-propylimino-1-(2,3,4,5-tetrahydropyridin-3-yl)ethyl]cyclohex-2-en-1-imine is sourced from PubChem (CID 123345292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).