3-ethoxy-6-propan-2-yl-6-azabicyclo[3.1.1]heptane

C11H21NO — CID 169176694

IUPAC3-ethoxy-6-propan-2-yl-6-azabicyclo[3.1.1]heptane
SMILESCCOC1CC2CC(C1)N2C(C)C
InChIInChI=1S/C11H21NO/c1-4-13-11-6-9-5-10(7-11)12(9)8(2)3/h8-11H,4-7H2,1-3H3
InChIKeyHXFIOLRLIFIPEE-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.04
Rot. Bonds3

About 3-ethoxy-6-propan-2-yl-6-azabicyclo[3.1.1]heptane

3-ethoxy-6-propan-2-yl-6-azabicyclo[3.1.1]heptane (PubChem CID 169176694) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-ethoxy-6-propan-2-yl-6-azabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name3-ethoxy-6-propan-2-yl-6-azabicyclo[3.1.1]heptane
PubChem CID169176694
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-ethoxy-6-propan-2-yl-6-azabicyclo[3.1.1]heptane
SMILESCCOC1CC2CC(C1)N2C(C)C
InChIInChI=1S/C11H21NO/c1-4-13-11-6-9-5-10(7-11)12(9)8(2)3/h8-11H,4-7H2,1-3H3
InChIKeyHXFIOLRLIFIPEE-UHFFFAOYSA-N
XLogP2.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-6-propan-2-yl-6-azabicyclo[3.1.1]heptane?
The IUPAC name of 3-ethoxy-6-propan-2-yl-6-azabicyclo[3.1.1]heptane (CID 169176694) is 3-ethoxy-6-propan-2-yl-6-azabicyclo[3.1.1]heptane.
What is the SMILES notation for 3-ethoxy-6-propan-2-yl-6-azabicyclo[3.1.1]heptane?
The canonical SMILES for 3-ethoxy-6-propan-2-yl-6-azabicyclo[3.1.1]heptane is CCOC1CC2CC(C1)N2C(C)C.
What is the InChIKey of 3-ethoxy-6-propan-2-yl-6-azabicyclo[3.1.1]heptane?
The InChIKey is HXFIOLRLIFIPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-13-11-6-9-5-10(7-11)12(9)8(2)3/h8-11H,4-7H2,1-3H3.
What are the key properties of 3-ethoxy-6-propan-2-yl-6-azabicyclo[3.1.1]heptane?
3-ethoxy-6-propan-2-yl-6-azabicyclo[3.1.1]heptane has a molecular weight of 183.29 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-6-propan-2-yl-6-azabicyclo[3.1.1]heptane is sourced from PubChem (CID 169176694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).