3-(2-methoxyethyl)-6-propan-2-yloxy-3-azabicyclo[3.1.1]heptane

C12H23NO2 — CID 156546607

IUPAC3-(2-methoxyethyl)-6-propan-2-yloxy-3-azabicyclo[3.1.1]heptane
SMILESCOCCN1CC2CC(C1)C2OC(C)C
InChIInChI=1S/C12H23NO2/c1-9(2)15-12-10-6-11(12)8-13(7-10)4-5-14-3/h9-12H,4-8H2,1-3H3
InChIKeyMEIYPTRIUPPNNA-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.38
Rot. Bonds5

About 3-(2-methoxyethyl)-6-propan-2-yloxy-3-azabicyclo[3.1.1]heptane

3-(2-methoxyethyl)-6-propan-2-yloxy-3-azabicyclo[3.1.1]heptane (PubChem CID 156546607) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-6-propan-2-yloxy-3-azabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name3-(2-methoxyethyl)-6-propan-2-yloxy-3-azabicyclo[3.1.1]heptane
PubChem CID156546607
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name3-(2-methoxyethyl)-6-propan-2-yloxy-3-azabicyclo[3.1.1]heptane
SMILESCOCCN1CC2CC(C1)C2OC(C)C
InChIInChI=1S/C12H23NO2/c1-9(2)15-12-10-6-11(12)8-13(7-10)4-5-14-3/h9-12H,4-8H2,1-3H3
InChIKeyMEIYPTRIUPPNNA-UHFFFAOYSA-N
XLogP1.38
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-6-propan-2-yloxy-3-azabicyclo[3.1.1]heptane?
The IUPAC name of 3-(2-methoxyethyl)-6-propan-2-yloxy-3-azabicyclo[3.1.1]heptane (CID 156546607) is 3-(2-methoxyethyl)-6-propan-2-yloxy-3-azabicyclo[3.1.1]heptane.
What is the SMILES notation for 3-(2-methoxyethyl)-6-propan-2-yloxy-3-azabicyclo[3.1.1]heptane?
The canonical SMILES for 3-(2-methoxyethyl)-6-propan-2-yloxy-3-azabicyclo[3.1.1]heptane is COCCN1CC2CC(C1)C2OC(C)C.
What is the InChIKey of 3-(2-methoxyethyl)-6-propan-2-yloxy-3-azabicyclo[3.1.1]heptane?
The InChIKey is MEIYPTRIUPPNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-9(2)15-12-10-6-11(12)8-13(7-10)4-5-14-3/h9-12H,4-8H2,1-3H3.
What are the key properties of 3-(2-methoxyethyl)-6-propan-2-yloxy-3-azabicyclo[3.1.1]heptane?
3-(2-methoxyethyl)-6-propan-2-yloxy-3-azabicyclo[3.1.1]heptane has a molecular weight of 213.32 g/mol, XLogP of 1.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-6-propan-2-yloxy-3-azabicyclo[3.1.1]heptane is sourced from PubChem (CID 156546607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).