propan-2-yl 2,6-dimethyl-N-propan-2-ylbenzenecarboximidate

C15H23NO — CID 159155439

IUPACpropan-2-yl 2,6-dimethyl-N-propan-2-ylbenzenecarboximidate
SMILESCc1cccc(C)c1/C(=N/C(C)C)OC(C)C
InChIInChI=1S/C15H23NO/c1-10(2)16-15(17-11(3)4)14-12(5)8-7-9-13(14)6/h7-11H,1-6H3/b16-15-
InChIKeyIIAIUFXCFYQKLR-NXVVXOECSA-N
MW233.35 g/mol
LogP3.88
Rot. Bonds3

About propan-2-yl 2,6-dimethyl-N-propan-2-ylbenzenecarboximidate

propan-2-yl 2,6-dimethyl-N-propan-2-ylbenzenecarboximidate (PubChem CID 159155439) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is propan-2-yl 2,6-dimethyl-N-propan-2-ylbenzenecarboximidate.

Molecular Properties

Compound Namepropan-2-yl 2,6-dimethyl-N-propan-2-ylbenzenecarboximidate
PubChem CID159155439
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Namepropan-2-yl 2,6-dimethyl-N-propan-2-ylbenzenecarboximidate
SMILESCc1cccc(C)c1/C(=N/C(C)C)OC(C)C
InChIInChI=1S/C15H23NO/c1-10(2)16-15(17-11(3)4)14-12(5)8-7-9-13(14)6/h7-11H,1-6H3/b16-15-
InChIKeyIIAIUFXCFYQKLR-NXVVXOECSA-N
XLogP3.88
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.88
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 propan-2-yl 2,6-dimethyl-N-propan-2-ylbenzenecarboximidate?
The IUPAC name of propan-2-yl 2,6-dimethyl-N-propan-2-ylbenzenecarboximidate (CID 159155439) is propan-2-yl 2,6-dimethyl-N-propan-2-ylbenzenecarboximidate.
What is the SMILES notation for propan-2-yl 2,6-dimethyl-N-propan-2-ylbenzenecarboximidate?
The canonical SMILES for propan-2-yl 2,6-dimethyl-N-propan-2-ylbenzenecarboximidate is Cc1cccc(C)c1/C(=N/C(C)C)OC(C)C.
What is the InChIKey of propan-2-yl 2,6-dimethyl-N-propan-2-ylbenzenecarboximidate?
The InChIKey is IIAIUFXCFYQKLR-NXVVXOECSA-N. The full InChI is InChI=1S/C15H23NO/c1-10(2)16-15(17-11(3)4)14-12(5)8-7-9-13(14)6/h7-11H,1-6H3/b16-15-.
What are the key properties of propan-2-yl 2,6-dimethyl-N-propan-2-ylbenzenecarboximidate?
propan-2-yl 2,6-dimethyl-N-propan-2-ylbenzenecarboximidate has a molecular weight of 233.35 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2,6-dimethyl-N-propan-2-ylbenzenecarboximidate is sourced from PubChem (CID 159155439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).