6-amino-N'-ethenyl-4-fluoro-3-methylcyclohexa-1,5-diene-1-carboximidamide

C10H14FN3 — CID 67710886

IUPAC6-amino-N'-ethenyl-4-fluoro-3-methylcyclohexa-1,5-diene-1-carboximidamide
SMILESC=C/N=C(\N)C1=CC(C)C(F)C=C1N
InChIInChI=1S/C10H14FN3/c1-3-14-10(13)7-4-6(2)8(11)5-9(7)12/h3-6,8H,1,12H2,2H3,(H2,13,14)
InChIKeyWAXAWALTEPLNKI-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.24
Rot. Bonds2

About 6-amino-N'-ethenyl-4-fluoro-3-methylcyclohexa-1,5-diene-1-carboximidamide

6-amino-N'-ethenyl-4-fluoro-3-methylcyclohexa-1,5-diene-1-carboximidamide (PubChem CID 67710886) has the molecular formula C10H14FN3 and a molecular weight of 195.24 g/mol. Its IUPAC name is 6-amino-N'-ethenyl-4-fluoro-3-methylcyclohexa-1,5-diene-1-carboximidamide.

Molecular Properties

Compound Name6-amino-N'-ethenyl-4-fluoro-3-methylcyclohexa-1,5-diene-1-carboximidamide
PubChem CID67710886
Molecular FormulaC10H14FN3
Molecular Weight195.24 g/mol
Exact Mass195.12
IUPAC Name6-amino-N'-ethenyl-4-fluoro-3-methylcyclohexa-1,5-diene-1-carboximidamide
SMILESC=C/N=C(\N)C1=CC(C)C(F)C=C1N
InChIInChI=1S/C10H14FN3/c1-3-14-10(13)7-4-6(2)8(11)5-9(7)12/h3-6,8H,1,12H2,2H3,(H2,13,14)
InChIKeyWAXAWALTEPLNKI-UHFFFAOYSA-N
XLogP1.24
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.24
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 6-amino-N'-ethenyl-4-fluoro-3-methylcyclohexa-1,5-diene-1-carboximidamide?
The IUPAC name of 6-amino-N'-ethenyl-4-fluoro-3-methylcyclohexa-1,5-diene-1-carboximidamide (CID 67710886) is 6-amino-N'-ethenyl-4-fluoro-3-methylcyclohexa-1,5-diene-1-carboximidamide.
What is the SMILES notation for 6-amino-N'-ethenyl-4-fluoro-3-methylcyclohexa-1,5-diene-1-carboximidamide?
The canonical SMILES for 6-amino-N'-ethenyl-4-fluoro-3-methylcyclohexa-1,5-diene-1-carboximidamide is C=C/N=C(\N)C1=CC(C)C(F)C=C1N.
What is the InChIKey of 6-amino-N'-ethenyl-4-fluoro-3-methylcyclohexa-1,5-diene-1-carboximidamide?
The InChIKey is WAXAWALTEPLNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3/c1-3-14-10(13)7-4-6(2)8(11)5-9(7)12/h3-6,8H,1,12H2,2H3,(H2,13,14).
What are the key properties of 6-amino-N'-ethenyl-4-fluoro-3-methylcyclohexa-1,5-diene-1-carboximidamide?
6-amino-N'-ethenyl-4-fluoro-3-methylcyclohexa-1,5-diene-1-carboximidamide has a molecular weight of 195.24 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N'-ethenyl-4-fluoro-3-methylcyclohexa-1,5-diene-1-carboximidamide is sourced from PubChem (CID 67710886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).