5-methoxy-1-(3-methylbutan-2-yl)pyridin-2-imine

C11H18N2O — CID 166787050

IUPAC5-methoxy-1-(3-methylbutan-2-yl)pyridin-2-imine
SMILES[H]/N=c1\ccc(OC)cn1C(C)C(C)C
InChIInChI=1S/C11H18N2O/c1-8(2)9(3)13-7-10(14-4)5-6-11(13)12/h5-9,12H,1-4H3/b12-11+
InChIKeyXCMDHIRJVUNUKN-VAWYXSNFSA-N
MW194.28 g/mol
LogP2.19
Rot. Bonds3

About 5-methoxy-1-(3-methylbutan-2-yl)pyridin-2-imine

5-methoxy-1-(3-methylbutan-2-yl)pyridin-2-imine (PubChem CID 166787050) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 5-methoxy-1-(3-methylbutan-2-yl)pyridin-2-imine.

Molecular Properties

Compound Name5-methoxy-1-(3-methylbutan-2-yl)pyridin-2-imine
PubChem CID166787050
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name5-methoxy-1-(3-methylbutan-2-yl)pyridin-2-imine
SMILES[H]/N=c1\ccc(OC)cn1C(C)C(C)C
InChIInChI=1S/C11H18N2O/c1-8(2)9(3)13-7-10(14-4)5-6-11(13)12/h5-9,12H,1-4H3/b12-11+
InChIKeyXCMDHIRJVUNUKN-VAWYXSNFSA-N
XLogP2.19
TPSA38.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-(3-methylbutan-2-yl)pyridin-2-imine?
The IUPAC name of 5-methoxy-1-(3-methylbutan-2-yl)pyridin-2-imine (CID 166787050) is 5-methoxy-1-(3-methylbutan-2-yl)pyridin-2-imine.
What is the SMILES notation for 5-methoxy-1-(3-methylbutan-2-yl)pyridin-2-imine?
The canonical SMILES for 5-methoxy-1-(3-methylbutan-2-yl)pyridin-2-imine is [H]/N=c1\ccc(OC)cn1C(C)C(C)C.
What is the InChIKey of 5-methoxy-1-(3-methylbutan-2-yl)pyridin-2-imine?
The InChIKey is XCMDHIRJVUNUKN-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8(2)9(3)13-7-10(14-4)5-6-11(13)12/h5-9,12H,1-4H3/b12-11+.
What are the key properties of 5-methoxy-1-(3-methylbutan-2-yl)pyridin-2-imine?
5-methoxy-1-(3-methylbutan-2-yl)pyridin-2-imine has a molecular weight of 194.28 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-(3-methylbutan-2-yl)pyridin-2-imine is sourced from PubChem (CID 166787050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).