N-amino-N'-tert-butyl-5-fluoro-2-methylbenzenecarboximidamide

C12H18FN3 — CID 63048983

IUPACN-amino-N'-tert-butyl-5-fluoro-2-methylbenzenecarboximidamide
SMILESCc1ccc(F)cc1/C(=N/C(C)(C)C)NN
InChIInChI=1S/C12H18FN3/c1-8-5-6-9(13)7-10(8)11(16-14)15-12(2,3)4/h5-7H,14H2,1-4H3,(H,15,16)
InChIKeyOCMQRLWQUYNIGY-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.14
Rot. Bonds1

About N-amino-N'-tert-butyl-5-fluoro-2-methylbenzenecarboximidamide

N-amino-N'-tert-butyl-5-fluoro-2-methylbenzenecarboximidamide (PubChem CID 63048983) has the molecular formula C12H18FN3 and a molecular weight of 223.29 g/mol. Its IUPAC name is N-amino-N'-tert-butyl-5-fluoro-2-methylbenzenecarboximidamide.

Molecular Properties

Compound NameN-amino-N'-tert-butyl-5-fluoro-2-methylbenzenecarboximidamide
PubChem CID63048983
Molecular FormulaC12H18FN3
Molecular Weight223.29 g/mol
Exact Mass223.15
IUPAC NameN-amino-N'-tert-butyl-5-fluoro-2-methylbenzenecarboximidamide
SMILESCc1ccc(F)cc1/C(=N/C(C)(C)C)NN
InChIInChI=1S/C12H18FN3/c1-8-5-6-9(13)7-10(8)11(16-14)15-12(2,3)4/h5-7H,14H2,1-4H3,(H,15,16)
InChIKeyOCMQRLWQUYNIGY-UHFFFAOYSA-N
XLogP2.14
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.14
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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Frequently Asked Questions

What is the IUPAC name of N-amino-N'-tert-butyl-5-fluoro-2-methylbenzenecarboximidamide?
The IUPAC name of N-amino-N'-tert-butyl-5-fluoro-2-methylbenzenecarboximidamide (CID 63048983) is N-amino-N'-tert-butyl-5-fluoro-2-methylbenzenecarboximidamide.
What is the SMILES notation for N-amino-N'-tert-butyl-5-fluoro-2-methylbenzenecarboximidamide?
The canonical SMILES for N-amino-N'-tert-butyl-5-fluoro-2-methylbenzenecarboximidamide is Cc1ccc(F)cc1/C(=N/C(C)(C)C)NN.
What is the InChIKey of N-amino-N'-tert-butyl-5-fluoro-2-methylbenzenecarboximidamide?
The InChIKey is OCMQRLWQUYNIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3/c1-8-5-6-9(13)7-10(8)11(16-14)15-12(2,3)4/h5-7H,14H2,1-4H3,(H,15,16).
What are the key properties of N-amino-N'-tert-butyl-5-fluoro-2-methylbenzenecarboximidamide?
N-amino-N'-tert-butyl-5-fluoro-2-methylbenzenecarboximidamide has a molecular weight of 223.29 g/mol, XLogP of 2.14, 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-5-fluoro-2-methylbenzenecarboximidamide is sourced from PubChem (CID 63048983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).