1-(2-methoxypropan-2-yl)-3,5,6,6-tetramethyl-7-tritiooxy-2-oxa-5-azabicyclo[2.2.1]heptane

C13H25NO3 — CID 59509661

IUPAC1-(2-methoxypropan-2-yl)-3,5,6,6-tetramethyl-7-tritiooxy-2-oxa-5-azabicyclo[2.2.1]heptane
SMILES[3H]OC1C2C(C)OC1(C(C)(C)OC)C(C)(C)N2C
InChIInChI=1S/C13H25NO3/c1-8-9-10(15)13(17-8,12(4,5)16-7)11(2,3)14(9)6/h8-10,15H,1-7H3/i15T
InChIKeyXLXNOPWTEZNTDX-BBSCNJGJSA-N
MW245.36 g/mol
LogP1.02
Rot. Bonds3

About 1-(2-methoxypropan-2-yl)-3,5,6,6-tetramethyl-7-tritiooxy-2-oxa-5-azabicyclo[2.2.1]heptane

1-(2-methoxypropan-2-yl)-3,5,6,6-tetramethyl-7-tritiooxy-2-oxa-5-azabicyclo[2.2.1]heptane (PubChem CID 59509661) has the molecular formula C13H25NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is 1-(2-methoxypropan-2-yl)-3,5,6,6-tetramethyl-7-tritiooxy-2-oxa-5-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name1-(2-methoxypropan-2-yl)-3,5,6,6-tetramethyl-7-tritiooxy-2-oxa-5-azabicyclo[2.2.1]heptane
PubChem CID59509661
Molecular FormulaC13H25NO3
Molecular Weight245.36 g/mol
Exact Mass245.19
IUPAC Name1-(2-methoxypropan-2-yl)-3,5,6,6-tetramethyl-7-tritiooxy-2-oxa-5-azabicyclo[2.2.1]heptane
SMILES[3H]OC1C2C(C)OC1(C(C)(C)OC)C(C)(C)N2C
InChIInChI=1S/C13H25NO3/c1-8-9-10(15)13(17-8,12(4,5)16-7)11(2,3)14(9)6/h8-10,15H,1-7H3/i15T
InChIKeyXLXNOPWTEZNTDX-BBSCNJGJSA-N
XLogP1.02
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxypropan-2-yl)-3,5,6,6-tetramethyl-7-tritiooxy-2-oxa-5-azabicyclo[2.2.1]heptane?
The IUPAC name of 1-(2-methoxypropan-2-yl)-3,5,6,6-tetramethyl-7-tritiooxy-2-oxa-5-azabicyclo[2.2.1]heptane (CID 59509661) is 1-(2-methoxypropan-2-yl)-3,5,6,6-tetramethyl-7-tritiooxy-2-oxa-5-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 1-(2-methoxypropan-2-yl)-3,5,6,6-tetramethyl-7-tritiooxy-2-oxa-5-azabicyclo[2.2.1]heptane?
The canonical SMILES for 1-(2-methoxypropan-2-yl)-3,5,6,6-tetramethyl-7-tritiooxy-2-oxa-5-azabicyclo[2.2.1]heptane is [3H]OC1C2C(C)OC1(C(C)(C)OC)C(C)(C)N2C.
What is the InChIKey of 1-(2-methoxypropan-2-yl)-3,5,6,6-tetramethyl-7-tritiooxy-2-oxa-5-azabicyclo[2.2.1]heptane?
The InChIKey is XLXNOPWTEZNTDX-BBSCNJGJSA-N. The full InChI is InChI=1S/C13H25NO3/c1-8-9-10(15)13(17-8,12(4,5)16-7)11(2,3)14(9)6/h8-10,15H,1-7H3/i15T.
What are the key properties of 1-(2-methoxypropan-2-yl)-3,5,6,6-tetramethyl-7-tritiooxy-2-oxa-5-azabicyclo[2.2.1]heptane?
1-(2-methoxypropan-2-yl)-3,5,6,6-tetramethyl-7-tritiooxy-2-oxa-5-azabicyclo[2.2.1]heptane has a molecular weight of 245.36 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxypropan-2-yl)-3,5,6,6-tetramethyl-7-tritiooxy-2-oxa-5-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 59509661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).