N-[(Z)-2-fluoroethenyl]-N'-methyl-1,2,3,6-tetrahydropyridine-4-carboximidamide

C9H14FN3 — CID 166762632

IUPACN-[(Z)-2-fluoroethenyl]-N'-methyl-1,2,3,6-tetrahydropyridine-4-carboximidamide
SMILESC/N=C(\N/C=C\F)C1=CCNCC1
InChIInChI=1S/C9H14FN3/c1-11-9(13-7-4-10)8-2-5-12-6-3-8/h2,4,7,12H,3,5-6H2,1H3,(H,11,13)/b7-4-
InChIKeyNXCKVLGXWKIJSM-DAXSKMNVSA-N
MW183.23 g/mol
LogP0.96
Rot. Bonds2

About N-[(Z)-2-fluoroethenyl]-N'-methyl-1,2,3,6-tetrahydropyridine-4-carboximidamide

N-[(Z)-2-fluoroethenyl]-N'-methyl-1,2,3,6-tetrahydropyridine-4-carboximidamide (PubChem CID 166762632) has the molecular formula C9H14FN3 and a molecular weight of 183.23 g/mol. Its IUPAC name is N-[(Z)-2-fluoroethenyl]-N'-methyl-1,2,3,6-tetrahydropyridine-4-carboximidamide.

Molecular Properties

Compound NameN-[(Z)-2-fluoroethenyl]-N'-methyl-1,2,3,6-tetrahydropyridine-4-carboximidamide
PubChem CID166762632
Molecular FormulaC9H14FN3
Molecular Weight183.23 g/mol
Exact Mass183.12
IUPAC NameN-[(Z)-2-fluoroethenyl]-N'-methyl-1,2,3,6-tetrahydropyridine-4-carboximidamide
SMILESC/N=C(\N/C=C\F)C1=CCNCC1
InChIInChI=1S/C9H14FN3/c1-11-9(13-7-4-10)8-2-5-12-6-3-8/h2,4,7,12H,3,5-6H2,1H3,(H,11,13)/b7-4-
InChIKeyNXCKVLGXWKIJSM-DAXSKMNVSA-N
XLogP0.96
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 50.96
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-[(Z)-2-fluoroethenyl]-N'-methyl-1,2,3,6-tetrahydropyridine-4-carboximidamide?
The IUPAC name of N-[(Z)-2-fluoroethenyl]-N'-methyl-1,2,3,6-tetrahydropyridine-4-carboximidamide (CID 166762632) is N-[(Z)-2-fluoroethenyl]-N'-methyl-1,2,3,6-tetrahydropyridine-4-carboximidamide.
What is the SMILES notation for N-[(Z)-2-fluoroethenyl]-N'-methyl-1,2,3,6-tetrahydropyridine-4-carboximidamide?
The canonical SMILES for N-[(Z)-2-fluoroethenyl]-N'-methyl-1,2,3,6-tetrahydropyridine-4-carboximidamide is C/N=C(\N/C=C\F)C1=CCNCC1.
What is the InChIKey of N-[(Z)-2-fluoroethenyl]-N'-methyl-1,2,3,6-tetrahydropyridine-4-carboximidamide?
The InChIKey is NXCKVLGXWKIJSM-DAXSKMNVSA-N. The full InChI is InChI=1S/C9H14FN3/c1-11-9(13-7-4-10)8-2-5-12-6-3-8/h2,4,7,12H,3,5-6H2,1H3,(H,11,13)/b7-4-.
What are the key properties of N-[(Z)-2-fluoroethenyl]-N'-methyl-1,2,3,6-tetrahydropyridine-4-carboximidamide?
N-[(Z)-2-fluoroethenyl]-N'-methyl-1,2,3,6-tetrahydropyridine-4-carboximidamide has a molecular weight of 183.23 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-fluoroethenyl]-N'-methyl-1,2,3,6-tetrahydropyridine-4-carboximidamide is sourced from PubChem (CID 166762632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).