1-(1-ethoxyethyl)-3-methyl-6-azabicyclo[3.1.1]heptane

C11H21NO — CID 175945734

IUPAC1-(1-ethoxyethyl)-3-methyl-6-azabicyclo[3.1.1]heptane
SMILESCCOC(C)C12CC(C)CC(C1)N2
InChIInChI=1S/C11H21NO/c1-4-13-9(3)11-6-8(2)5-10(7-11)12-11/h8-10,12H,4-7H2,1-3H3
InChIKeyFETMLORWHKOUGZ-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.94
Rot. Bonds3

About 1-(1-ethoxyethyl)-3-methyl-6-azabicyclo[3.1.1]heptane

1-(1-ethoxyethyl)-3-methyl-6-azabicyclo[3.1.1]heptane (PubChem CID 175945734) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-(1-ethoxyethyl)-3-methyl-6-azabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name1-(1-ethoxyethyl)-3-methyl-6-azabicyclo[3.1.1]heptane
PubChem CID175945734
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-(1-ethoxyethyl)-3-methyl-6-azabicyclo[3.1.1]heptane
SMILESCCOC(C)C12CC(C)CC(C1)N2
InChIInChI=1S/C11H21NO/c1-4-13-9(3)11-6-8(2)5-10(7-11)12-11/h8-10,12H,4-7H2,1-3H3
InChIKeyFETMLORWHKOUGZ-UHFFFAOYSA-N
XLogP1.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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 1-(1-ethoxyethyl)-3-methyl-6-azabicyclo[3.1.1]heptane?
The IUPAC name of 1-(1-ethoxyethyl)-3-methyl-6-azabicyclo[3.1.1]heptane (CID 175945734) is 1-(1-ethoxyethyl)-3-methyl-6-azabicyclo[3.1.1]heptane.
What is the SMILES notation for 1-(1-ethoxyethyl)-3-methyl-6-azabicyclo[3.1.1]heptane?
The canonical SMILES for 1-(1-ethoxyethyl)-3-methyl-6-azabicyclo[3.1.1]heptane is CCOC(C)C12CC(C)CC(C1)N2.
What is the InChIKey of 1-(1-ethoxyethyl)-3-methyl-6-azabicyclo[3.1.1]heptane?
The InChIKey is FETMLORWHKOUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-13-9(3)11-6-8(2)5-10(7-11)12-11/h8-10,12H,4-7H2,1-3H3.
What are the key properties of 1-(1-ethoxyethyl)-3-methyl-6-azabicyclo[3.1.1]heptane?
1-(1-ethoxyethyl)-3-methyl-6-azabicyclo[3.1.1]heptane has a molecular weight of 183.29 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxyethyl)-3-methyl-6-azabicyclo[3.1.1]heptane is sourced from PubChem (CID 175945734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).