3-[(2-methylpropan-2-yl)oxymethyl]-2-azabicyclo[2.2.1]heptane

C11H21NO — CID 58364991

IUPAC3-[(2-methylpropan-2-yl)oxymethyl]-2-azabicyclo[2.2.1]heptane
SMILESCC(C)(C)OCC1NC2CCC1C2
InChIInChI=1S/C11H21NO/c1-11(2,3)13-7-10-8-4-5-9(6-8)12-10/h8-10,12H,4-7H2,1-3H3
InChIKeyCFYCDSXDYBAENP-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.94
Rot. Bonds2

About 3-[(2-methylpropan-2-yl)oxymethyl]-2-azabicyclo[2.2.1]heptane

3-[(2-methylpropan-2-yl)oxymethyl]-2-azabicyclo[2.2.1]heptane (PubChem CID 58364991) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxymethyl]-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxymethyl]-2-azabicyclo[2.2.1]heptane
PubChem CID58364991
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-[(2-methylpropan-2-yl)oxymethyl]-2-azabicyclo[2.2.1]heptane
SMILESCC(C)(C)OCC1NC2CCC1C2
InChIInChI=1S/C11H21NO/c1-11(2,3)13-7-10-8-4-5-9(6-8)12-10/h8-10,12H,4-7H2,1-3H3
InChIKeyCFYCDSXDYBAENP-UHFFFAOYSA-N
XLogP1.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxymethyl]-2-azabicyclo[2.2.1]heptane?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxymethyl]-2-azabicyclo[2.2.1]heptane (CID 58364991) is 3-[(2-methylpropan-2-yl)oxymethyl]-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxymethyl]-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxymethyl]-2-azabicyclo[2.2.1]heptane is CC(C)(C)OCC1NC2CCC1C2.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxymethyl]-2-azabicyclo[2.2.1]heptane?
The InChIKey is CFYCDSXDYBAENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-11(2,3)13-7-10-8-4-5-9(6-8)12-10/h8-10,12H,4-7H2,1-3H3.
What are the key properties of 3-[(2-methylpropan-2-yl)oxymethyl]-2-azabicyclo[2.2.1]heptane?
3-[(2-methylpropan-2-yl)oxymethyl]-2-azabicyclo[2.2.1]heptane has a molecular weight of 183.29 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxymethyl]-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 58364991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).