N'-tert-butyl-3,5-dichlorobenzenecarboximidamide

C11H14Cl2N2 — CID 107918190

IUPACN'-tert-butyl-3,5-dichlorobenzenecarboximidamide
SMILESCC(C)(C)/N=C(\N)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H14Cl2N2/c1-11(2,3)15-10(14)7-4-8(12)6-9(13)5-7/h4-6H,1-3H3,(H2,14,15)
InChIKeyLBQWUWRHQPTNRA-UHFFFAOYSA-N
MW245.15 g/mol
LogP3.50
Rot. Bonds1

About N'-tert-butyl-3,5-dichlorobenzenecarboximidamide

N'-tert-butyl-3,5-dichlorobenzenecarboximidamide (PubChem CID 107918190) has the molecular formula C11H14Cl2N2 and a molecular weight of 245.15 g/mol. Its IUPAC name is N'-tert-butyl-3,5-dichlorobenzenecarboximidamide.

Molecular Properties

Compound NameN'-tert-butyl-3,5-dichlorobenzenecarboximidamide
PubChem CID107918190
Molecular FormulaC11H14Cl2N2
Molecular Weight245.15 g/mol
Exact Mass244.05
IUPAC NameN'-tert-butyl-3,5-dichlorobenzenecarboximidamide
SMILESCC(C)(C)/N=C(\N)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H14Cl2N2/c1-11(2,3)15-10(14)7-4-8(12)6-9(13)5-7/h4-6H,1-3H3,(H2,14,15)
InChIKeyLBQWUWRHQPTNRA-UHFFFAOYSA-N
XLogP3.50
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.15
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'-tert-butyl-3,5-dichlorobenzenecarboximidamide?
The IUPAC name of N'-tert-butyl-3,5-dichlorobenzenecarboximidamide (CID 107918190) is N'-tert-butyl-3,5-dichlorobenzenecarboximidamide.
What is the SMILES notation for N'-tert-butyl-3,5-dichlorobenzenecarboximidamide?
The canonical SMILES for N'-tert-butyl-3,5-dichlorobenzenecarboximidamide is CC(C)(C)/N=C(\N)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N'-tert-butyl-3,5-dichlorobenzenecarboximidamide?
The InChIKey is LBQWUWRHQPTNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2/c1-11(2,3)15-10(14)7-4-8(12)6-9(13)5-7/h4-6H,1-3H3,(H2,14,15).
What are the key properties of N'-tert-butyl-3,5-dichlorobenzenecarboximidamide?
N'-tert-butyl-3,5-dichlorobenzenecarboximidamide has a molecular weight of 245.15 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-3,5-dichlorobenzenecarboximidamide is sourced from PubChem (CID 107918190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).