N'-ethylpropanimidamide;6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine

C18H32FN3 — CID 144943529

IUPACN'-ethylpropanimidamide;6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine
SMILESCC/N=C(/N)CC.CC1=CCCNC1C1C=CC(F)C(C)C1
InChIInChI=1S/C13H20FN.C5H12N2/c1-9-4-3-7-15-13(9)11-5-6-12(14)10(2)8-11;1-3-5(6)7-4-2/h4-6,10-13,15H,3,7-8H2,1-2H3;3-4H2,1-2H3,(H2,6,7)
InChIKeyYUFHPKUXJFROGS-UHFFFAOYSA-N
MW309.47 g/mol
LogP3.62
Rot. Bonds3

About N'-ethylpropanimidamide;6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine

N'-ethylpropanimidamide;6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine (PubChem CID 144943529) has the molecular formula C18H32FN3 and a molecular weight of 309.47 g/mol. Its IUPAC name is N'-ethylpropanimidamide;6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound NameN'-ethylpropanimidamide;6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine
PubChem CID144943529
Molecular FormulaC18H32FN3
Molecular Weight309.47 g/mol
Exact Mass309.26
IUPAC NameN'-ethylpropanimidamide;6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine
SMILESCC/N=C(/N)CC.CC1=CCCNC1C1C=CC(F)C(C)C1
InChIInChI=1S/C13H20FN.C5H12N2/c1-9-4-3-7-15-13(9)11-5-6-12(14)10(2)8-11;1-3-5(6)7-4-2/h4-6,10-13,15H,3,7-8H2,1-2H3;3-4H2,1-2H3,(H2,6,7)
InChIKeyYUFHPKUXJFROGS-UHFFFAOYSA-N
XLogP3.62
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.47
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N'-ethylpropanimidamide;6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine 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

2-Ethylimino-5-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]pentan-1-amine
CID 123714233
3-[6-(5-Chloro-4-fluorocyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]-2,3,4,5-tetrahydropyridin-6-amine
CID 139453616
N'-[1-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]propyl]carbamimidoyl chloride
CID 139453636
1-cyclohexa-2,4-dien-1-yl-4-(3,3-dimethyl-2-methylidenepentyl)imino-3-fluoro-N-methylpentan-1-amine
CID 154993301
N'-[3-[6-(4-fluoro-5-methylcyclohept-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]butyl]carbamimidoyl chloride
CID 163889551
2-Chloro-6-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]-1,4,5,6-tetrahydropyrimidine
CID 167216833
2-Ethylimino-6-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]hexan-1-amine
CID 167217054
(4R)-4-[6-(3-chloro-6-fluorocyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]-2,3,4,5-tetrahydropyridin-6-amine
CID 167217057
3-(difluoromethyl)-2-[(1E,5E)-hepta-1,5-dienyl]-4-[[(4S)-4-[1-(methylamino)pentan-3-yl]cyclohexa-1,5-dien-1-yl]methyl]-2,3-dihydropyridin-6-amine
CID 163248382
1-(4,5-dihydro-1H-imidazol-2-yl)-2-methylicos-11-en-1-amine
CID 67644457
1-(4,5-dihydro-1H-imidazol-2-yl)-2-ethylicos-11-en-1-amine
CID 67645272
N'-[(1,2-dimethylpiperidin-3-yl)-(3-methylcyclohex-2-en-1-yl)methyl]-N-(4-methylpentan-2-yl)ethanimidamide
CID 68029957

Frequently Asked Questions

What is the IUPAC name of N'-ethylpropanimidamide;6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine?
The IUPAC name of N'-ethylpropanimidamide;6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine (CID 144943529) is N'-ethylpropanimidamide;6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for N'-ethylpropanimidamide;6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for N'-ethylpropanimidamide;6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine is CC/N=C(/N)CC.CC1=CCCNC1C1C=CC(F)C(C)C1.
What is the InChIKey of N'-ethylpropanimidamide;6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine?
The InChIKey is YUFHPKUXJFROGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN.C5H12N2/c1-9-4-3-7-15-13(9)11-5-6-12(14)10(2)8-11;1-3-5(6)7-4-2/h4-6,10-13,15H,3,7-8H2,1-2H3;3-4H2,1-2H3,(H2,6,7).
What are the key properties of N'-ethylpropanimidamide;6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine?
N'-ethylpropanimidamide;6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine has a molecular weight of 309.47 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethylpropanimidamide;6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 144943529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).