5-bromo-N-(1-methoxy-3-methylbutan-2-yl)-3-methylpyridin-2-amine

C12H19BrN2O — CID 79718710

IUPAC5-bromo-N-(1-methoxy-3-methylbutan-2-yl)-3-methylpyridin-2-amine
SMILESCOCC(Nc1ncc(Br)cc1C)C(C)C
InChIInChI=1S/C12H19BrN2O/c1-8(2)11(7-16-4)15-12-9(3)5-10(13)6-14-12/h5-6,8,11H,7H2,1-4H3,(H,14,15)
InChIKeyAHUOHWDCEKFCBM-UHFFFAOYSA-N
MW287.20 g/mol
LogP3.24
Rot. Bonds5

About 5-bromo-N-(1-methoxy-3-methylbutan-2-yl)-3-methylpyridin-2-amine

5-bromo-N-(1-methoxy-3-methylbutan-2-yl)-3-methylpyridin-2-amine (PubChem CID 79718710) has the molecular formula C12H19BrN2O and a molecular weight of 287.20 g/mol. Its IUPAC name is 5-bromo-N-(1-methoxy-3-methylbutan-2-yl)-3-methylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(1-methoxy-3-methylbutan-2-yl)-3-methylpyridin-2-amine
PubChem CID79718710
Molecular FormulaC12H19BrN2O
Molecular Weight287.20 g/mol
Exact Mass286.07
IUPAC Name5-bromo-N-(1-methoxy-3-methylbutan-2-yl)-3-methylpyridin-2-amine
SMILESCOCC(Nc1ncc(Br)cc1C)C(C)C
InChIInChI=1S/C12H19BrN2O/c1-8(2)11(7-16-4)15-12-9(3)5-10(13)6-14-12/h5-6,8,11H,7H2,1-4H3,(H,14,15)
InChIKeyAHUOHWDCEKFCBM-UHFFFAOYSA-N
XLogP3.24
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-methoxy-3-methylbutan-2-yl)-3-methylpyridin-2-amine?
The IUPAC name of 5-bromo-N-(1-methoxy-3-methylbutan-2-yl)-3-methylpyridin-2-amine (CID 79718710) is 5-bromo-N-(1-methoxy-3-methylbutan-2-yl)-3-methylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(1-methoxy-3-methylbutan-2-yl)-3-methylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-(1-methoxy-3-methylbutan-2-yl)-3-methylpyridin-2-amine is COCC(Nc1ncc(Br)cc1C)C(C)C.
What is the InChIKey of 5-bromo-N-(1-methoxy-3-methylbutan-2-yl)-3-methylpyridin-2-amine?
The InChIKey is AHUOHWDCEKFCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O/c1-8(2)11(7-16-4)15-12-9(3)5-10(13)6-14-12/h5-6,8,11H,7H2,1-4H3,(H,14,15).
What are the key properties of 5-bromo-N-(1-methoxy-3-methylbutan-2-yl)-3-methylpyridin-2-amine?
5-bromo-N-(1-methoxy-3-methylbutan-2-yl)-3-methylpyridin-2-amine has a molecular weight of 287.20 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-methoxy-3-methylbutan-2-yl)-3-methylpyridin-2-amine is sourced from PubChem (CID 79718710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).