N'-[5-[1-(4-fluorophenyl)ethenyl]-1,2,3,6-tetrahydropyridin-4-yl]-2-methylbutanimidamide

C18H24FN3 — CID 89378819

IUPACN'-[5-[1-(4-fluorophenyl)ethenyl]-1,2,3,6-tetrahydropyridin-4-yl]-2-methylbutanimidamide
SMILESC=C(C1=C(/N=C(\N)C(C)CC)CCNC1)c1ccc(F)cc1
InChIInChI=1S/C18H24FN3/c1-4-12(2)18(20)22-17-9-10-21-11-16(17)13(3)14-5-7-15(19)8-6-14/h5-8,12,21H,3-4,9-11H2,1-2H3,(H2,20,22)
InChIKeyDZTODFATCRASGQ-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.49
Rot. Bonds5

About N'-[5-[1-(4-fluorophenyl)ethenyl]-1,2,3,6-tetrahydropyridin-4-yl]-2-methylbutanimidamide

N'-[5-[1-(4-fluorophenyl)ethenyl]-1,2,3,6-tetrahydropyridin-4-yl]-2-methylbutanimidamide (PubChem CID 89378819) has the molecular formula C18H24FN3 and a molecular weight of 301.41 g/mol. Its IUPAC name is N'-[5-[1-(4-fluorophenyl)ethenyl]-1,2,3,6-tetrahydropyridin-4-yl]-2-methylbutanimidamide.

Molecular Properties

Compound NameN'-[5-[1-(4-fluorophenyl)ethenyl]-1,2,3,6-tetrahydropyridin-4-yl]-2-methylbutanimidamide
PubChem CID89378819
Molecular FormulaC18H24FN3
Molecular Weight301.41 g/mol
Exact Mass301.20
IUPAC NameN'-[5-[1-(4-fluorophenyl)ethenyl]-1,2,3,6-tetrahydropyridin-4-yl]-2-methylbutanimidamide
SMILESC=C(C1=C(/N=C(\N)C(C)CC)CCNC1)c1ccc(F)cc1
InChIInChI=1S/C18H24FN3/c1-4-12(2)18(20)22-17-9-10-21-11-16(17)13(3)14-5-7-15(19)8-6-14/h5-8,12,21H,3-4,9-11H2,1-2H3,(H2,20,22)
InChIKeyDZTODFATCRASGQ-UHFFFAOYSA-N
XLogP3.49
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.49
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-[5-[1-(4-fluorophenyl)ethenyl]-1,2,3,6-tetrahydropyridin-4-yl]-2-methylbutanimidamide?
The IUPAC name of N'-[5-[1-(4-fluorophenyl)ethenyl]-1,2,3,6-tetrahydropyridin-4-yl]-2-methylbutanimidamide (CID 89378819) is N'-[5-[1-(4-fluorophenyl)ethenyl]-1,2,3,6-tetrahydropyridin-4-yl]-2-methylbutanimidamide.
What is the SMILES notation for N'-[5-[1-(4-fluorophenyl)ethenyl]-1,2,3,6-tetrahydropyridin-4-yl]-2-methylbutanimidamide?
The canonical SMILES for N'-[5-[1-(4-fluorophenyl)ethenyl]-1,2,3,6-tetrahydropyridin-4-yl]-2-methylbutanimidamide is C=C(C1=C(/N=C(\N)C(C)CC)CCNC1)c1ccc(F)cc1.
What is the InChIKey of N'-[5-[1-(4-fluorophenyl)ethenyl]-1,2,3,6-tetrahydropyridin-4-yl]-2-methylbutanimidamide?
The InChIKey is DZTODFATCRASGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3/c1-4-12(2)18(20)22-17-9-10-21-11-16(17)13(3)14-5-7-15(19)8-6-14/h5-8,12,21H,3-4,9-11H2,1-2H3,(H2,20,22).
What are the key properties of N'-[5-[1-(4-fluorophenyl)ethenyl]-1,2,3,6-tetrahydropyridin-4-yl]-2-methylbutanimidamide?
N'-[5-[1-(4-fluorophenyl)ethenyl]-1,2,3,6-tetrahydropyridin-4-yl]-2-methylbutanimidamide has a molecular weight of 301.41 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-[1-(4-fluorophenyl)ethenyl]-1,2,3,6-tetrahydropyridin-4-yl]-2-methylbutanimidamide is sourced from PubChem (CID 89378819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).