N-benzyl-2,6-dimethylbenzenecarboximidate

C16H16NO- — CID 91269599

IUPACN-benzyl-2,6-dimethylbenzenecarboximidate
SMILESCc1cccc(C)c1/C([O-])=N/Cc1ccccc1
InChIInChI=1S/C16H17NO/c1-12-7-6-8-13(2)15(12)16(18)17-11-14-9-4-3-5-10-14/h3-10H,11H2,1-2H3,(H,17,18)/p-1
InChIKeyWAUUKMDAEQLARF-UHFFFAOYSA-M
MW238.31 g/mol
LogP2.61
Rot. Bonds3

About N-benzyl-2,6-dimethylbenzenecarboximidate

N-benzyl-2,6-dimethylbenzenecarboximidate (PubChem CID 91269599) has the molecular formula C16H16NO- and a molecular weight of 238.31 g/mol. Its IUPAC name is N-benzyl-2,6-dimethylbenzenecarboximidate.

Molecular Properties

Compound NameN-benzyl-2,6-dimethylbenzenecarboximidate
PubChem CID91269599
Molecular FormulaC16H16NO-
Molecular Weight238.31 g/mol
Exact Mass238.12
IUPAC NameN-benzyl-2,6-dimethylbenzenecarboximidate
SMILESCc1cccc(C)c1/C([O-])=N/Cc1ccccc1
InChIInChI=1S/C16H17NO/c1-12-7-6-8-13(2)15(12)16(18)17-11-14-9-4-3-5-10-14/h3-10H,11H2,1-2H3,(H,17,18)/p-1
InChIKeyWAUUKMDAEQLARF-UHFFFAOYSA-M
XLogP2.61
TPSA35.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.61
H-Bond Donors ≤ 50
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-benzyl-2,6-dimethylbenzenecarboximidate?
The IUPAC name of N-benzyl-2,6-dimethylbenzenecarboximidate (CID 91269599) is N-benzyl-2,6-dimethylbenzenecarboximidate.
What is the SMILES notation for N-benzyl-2,6-dimethylbenzenecarboximidate?
The canonical SMILES for N-benzyl-2,6-dimethylbenzenecarboximidate is Cc1cccc(C)c1/C([O-])=N/Cc1ccccc1.
What is the InChIKey of N-benzyl-2,6-dimethylbenzenecarboximidate?
The InChIKey is WAUUKMDAEQLARF-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H17NO/c1-12-7-6-8-13(2)15(12)16(18)17-11-14-9-4-3-5-10-14/h3-10H,11H2,1-2H3,(H,17,18)/p-1.
What are the key properties of N-benzyl-2,6-dimethylbenzenecarboximidate?
N-benzyl-2,6-dimethylbenzenecarboximidate has a molecular weight of 238.31 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,6-dimethylbenzenecarboximidate is sourced from PubChem (CID 91269599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).