2-(1-methoxypropan-2-yl)-3H-isoindol-1-imine;hydrobromide

C12H17BrN2O — CID 2979886

IUPAC2-(1-methoxypropan-2-yl)-3H-isoindol-1-imine;hydrobromide
SMILESBr.[H]/N=C1\c2ccccc2CN1C(C)COC
InChIInChI=1S/C12H16N2O.BrH/c1-9(8-15-2)14-7-10-5-3-4-6-11(10)12(14)13;/h3-6,9,13H,7-8H2,1-2H3;1H/b13-12+;
InChIKeyXIWJHONXPRSBDZ-UEIGIMKUSA-N
MW285.19 g/mol
LogP2.44
Rot. Bonds3

About 2-(1-methoxypropan-2-yl)-3H-isoindol-1-imine;hydrobromide

2-(1-methoxypropan-2-yl)-3H-isoindol-1-imine;hydrobromide (PubChem CID 2979886) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 2-(1-methoxypropan-2-yl)-3H-isoindol-1-imine;hydrobromide.

Molecular Properties

Compound Name2-(1-methoxypropan-2-yl)-3H-isoindol-1-imine;hydrobromide
PubChem CID2979886
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name2-(1-methoxypropan-2-yl)-3H-isoindol-1-imine;hydrobromide
SMILESBr.[H]/N=C1\c2ccccc2CN1C(C)COC
InChIInChI=1S/C12H16N2O.BrH/c1-9(8-15-2)14-7-10-5-3-4-6-11(10)12(14)13;/h3-6,9,13H,7-8H2,1-2H3;1H/b13-12+;
InChIKeyXIWJHONXPRSBDZ-UEIGIMKUSA-N
XLogP2.44
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.44
H-Bond Donors ≤ 51
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 2-(1-methoxypropan-2-yl)-3H-isoindol-1-imine;hydrobromide?
The IUPAC name of 2-(1-methoxypropan-2-yl)-3H-isoindol-1-imine;hydrobromide (CID 2979886) is 2-(1-methoxypropan-2-yl)-3H-isoindol-1-imine;hydrobromide.
What is the SMILES notation for 2-(1-methoxypropan-2-yl)-3H-isoindol-1-imine;hydrobromide?
The canonical SMILES for 2-(1-methoxypropan-2-yl)-3H-isoindol-1-imine;hydrobromide is Br.[H]/N=C1\c2ccccc2CN1C(C)COC.
What is the InChIKey of 2-(1-methoxypropan-2-yl)-3H-isoindol-1-imine;hydrobromide?
The InChIKey is XIWJHONXPRSBDZ-UEIGIMKUSA-N. The full InChI is InChI=1S/C12H16N2O.BrH/c1-9(8-15-2)14-7-10-5-3-4-6-11(10)12(14)13;/h3-6,9,13H,7-8H2,1-2H3;1H/b13-12+;.
What are the key properties of 2-(1-methoxypropan-2-yl)-3H-isoindol-1-imine;hydrobromide?
2-(1-methoxypropan-2-yl)-3H-isoindol-1-imine;hydrobromide has a molecular weight of 285.19 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxypropan-2-yl)-3H-isoindol-1-imine;hydrobromide is sourced from PubChem (CID 2979886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).