3-methoxy-3-methyl-N-(2-phenylpropan-2-yl)butan-2-imine

C15H23NO — CID 10823548

IUPAC3-methoxy-3-methyl-N-(2-phenylpropan-2-yl)butan-2-imine
SMILESCOC(C)(C)/C(C)=N/C(C)(C)c1ccccc1
InChIInChI=1S/C15H23NO/c1-12(15(4,5)17-6)16-14(2,3)13-10-8-7-9-11-13/h7-11H,1-6H3/b16-12+
InChIKeyMKTPHRPJRMZEDI-FOWTUZBSSA-N
MW233.35 g/mol
LogP3.81
Rot. Bonds4

About 3-methoxy-3-methyl-N-(2-phenylpropan-2-yl)butan-2-imine

3-methoxy-3-methyl-N-(2-phenylpropan-2-yl)butan-2-imine (PubChem CID 10823548) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 3-methoxy-3-methyl-N-(2-phenylpropan-2-yl)butan-2-imine.

Molecular Properties

Compound Name3-methoxy-3-methyl-N-(2-phenylpropan-2-yl)butan-2-imine
PubChem CID10823548
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name3-methoxy-3-methyl-N-(2-phenylpropan-2-yl)butan-2-imine
SMILESCOC(C)(C)/C(C)=N/C(C)(C)c1ccccc1
InChIInChI=1S/C15H23NO/c1-12(15(4,5)17-6)16-14(2,3)13-10-8-7-9-11-13/h7-11H,1-6H3/b16-12+
InChIKeyMKTPHRPJRMZEDI-FOWTUZBSSA-N
XLogP3.81
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-N-(2-phenylpropan-2-yl)butan-2-imine?
The IUPAC name of 3-methoxy-3-methyl-N-(2-phenylpropan-2-yl)butan-2-imine (CID 10823548) is 3-methoxy-3-methyl-N-(2-phenylpropan-2-yl)butan-2-imine.
What is the SMILES notation for 3-methoxy-3-methyl-N-(2-phenylpropan-2-yl)butan-2-imine?
The canonical SMILES for 3-methoxy-3-methyl-N-(2-phenylpropan-2-yl)butan-2-imine is COC(C)(C)/C(C)=N/C(C)(C)c1ccccc1.
What is the InChIKey of 3-methoxy-3-methyl-N-(2-phenylpropan-2-yl)butan-2-imine?
The InChIKey is MKTPHRPJRMZEDI-FOWTUZBSSA-N. The full InChI is InChI=1S/C15H23NO/c1-12(15(4,5)17-6)16-14(2,3)13-10-8-7-9-11-13/h7-11H,1-6H3/b16-12+.
What are the key properties of 3-methoxy-3-methyl-N-(2-phenylpropan-2-yl)butan-2-imine?
3-methoxy-3-methyl-N-(2-phenylpropan-2-yl)butan-2-imine has a molecular weight of 233.35 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-N-(2-phenylpropan-2-yl)butan-2-imine is sourced from PubChem (CID 10823548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).