N-amino-N'-tert-butyl-3-fluorobenzenecarboximidamide

C11H16FN3 — CID 61363484

IUPACN-amino-N'-tert-butyl-3-fluorobenzenecarboximidamide
SMILESCC(C)(C)/N=C(\NN)c1cccc(F)c1
InChIInChI=1S/C11H16FN3/c1-11(2,3)14-10(15-13)8-5-4-6-9(12)7-8/h4-7H,13H2,1-3H3,(H,14,15)
InChIKeyWHWASDSVPKVXMZ-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.83
Rot. Bonds1

About N-amino-N'-tert-butyl-3-fluorobenzenecarboximidamide

N-amino-N'-tert-butyl-3-fluorobenzenecarboximidamide (PubChem CID 61363484) has the molecular formula C11H16FN3 and a molecular weight of 209.27 g/mol. Its IUPAC name is N-amino-N'-tert-butyl-3-fluorobenzenecarboximidamide.

Molecular Properties

Compound NameN-amino-N'-tert-butyl-3-fluorobenzenecarboximidamide
PubChem CID61363484
Molecular FormulaC11H16FN3
Molecular Weight209.27 g/mol
Exact Mass209.13
IUPAC NameN-amino-N'-tert-butyl-3-fluorobenzenecarboximidamide
SMILESCC(C)(C)/N=C(\NN)c1cccc(F)c1
InChIInChI=1S/C11H16FN3/c1-11(2,3)14-10(15-13)8-5-4-6-9(12)7-8/h4-7H,13H2,1-3H3,(H,14,15)
InChIKeyWHWASDSVPKVXMZ-UHFFFAOYSA-N
XLogP1.83
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-amino-N'-tert-butyl-3-fluoro-4-methylbenzenecarboximidamide
CID 61360497
N-amino-N'-tert-butyl-5-fluoro-2-methylbenzenecarboximidamide
CID 63048983
N-amino-N'-tert-butyl-4-(trifluoromethyl)benzenecarboximidamide
CID 61361101
N-amino-N'-tert-butyl-1-benzothiophene-2-carboximidamide
CID 61406895
3-fluoro-N-[3-[(3-fluorobenzoyl)amino]-2,2-dimethylpropyl]benzamide
CID 2168496
methyl 3-fluorobenzoate
CID 521184
N-[(E)-(4-tert-butylphenyl)methylideneamino]-3-fluorobenzamide
CID 6895131
(S)-N-[1-(3-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 131748352
1,3-difluorobenzene;methanol
CID 144994633
N-amino-N'-tert-butyl-3-methylfuran-2-carboximidamide
CID 61361510
N-(3,3-dimethyl-2-oxobutyl)-3-fluorobenzamide
CID 64991573
3-fluoro-N-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]benzamide
CID 82725712

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-tert-butyl-3-fluorobenzenecarboximidamide?
The IUPAC name of N-amino-N'-tert-butyl-3-fluorobenzenecarboximidamide (CID 61363484) is N-amino-N'-tert-butyl-3-fluorobenzenecarboximidamide.
What is the SMILES notation for N-amino-N'-tert-butyl-3-fluorobenzenecarboximidamide?
The canonical SMILES for N-amino-N'-tert-butyl-3-fluorobenzenecarboximidamide is CC(C)(C)/N=C(\NN)c1cccc(F)c1.
What is the InChIKey of N-amino-N'-tert-butyl-3-fluorobenzenecarboximidamide?
The InChIKey is WHWASDSVPKVXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3/c1-11(2,3)14-10(15-13)8-5-4-6-9(12)7-8/h4-7H,13H2,1-3H3,(H,14,15).
What are the key properties of N-amino-N'-tert-butyl-3-fluorobenzenecarboximidamide?
N-amino-N'-tert-butyl-3-fluorobenzenecarboximidamide has a molecular weight of 209.27 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-tert-butyl-3-fluorobenzenecarboximidamide is sourced from PubChem (CID 61363484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).