3-ethoxy-6-azabicyclo[3.1.1]heptane

C8H15NO — CID 169176949

IUPAC3-ethoxy-6-azabicyclo[3.1.1]heptane
SMILESCCOC1CC2CC(C1)N2
InChIInChI=1S/C8H15NO/c1-2-10-8-4-6-3-7(5-8)9-6/h6-9H,2-5H2,1H3
InChIKeyQCEJRFAHOKEFAW-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.92
Rot. Bonds2

About 3-ethoxy-6-azabicyclo[3.1.1]heptane

3-ethoxy-6-azabicyclo[3.1.1]heptane (PubChem CID 169176949) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 3-ethoxy-6-azabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name3-ethoxy-6-azabicyclo[3.1.1]heptane
PubChem CID169176949
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name3-ethoxy-6-azabicyclo[3.1.1]heptane
SMILESCCOC1CC2CC(C1)N2
InChIInChI=1S/C8H15NO/c1-2-10-8-4-6-3-7(5-8)9-6/h6-9H,2-5H2,1H3
InChIKeyQCEJRFAHOKEFAW-UHFFFAOYSA-N
XLogP0.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Difluoromethoxy)-6-azabicyclo[3.1.1]heptane
CID 169176725
(5S)-3-(1-fluoroethoxy)-6-azabicyclo[3.1.1]heptane
CID 170617222
(5S)-3-(difluoromethoxy)-6-azabicyclo[3.1.1]heptane
CID 176763981
3-Methoxy-6-methyl-6-azabicyclo[3.1.1]heptane
CID 57979649
6-Aza-bicyclo[3.1.1]heptan-3-ol
CID 89300463
3-Methoxy-6-azabicyclo[3.1.1]heptane
CID 118653151
N-ethyl-6-oxabicyclo[3.1.1]heptan-3-amine
CID 146275514
2-Cyclohexyloxy-6-methylpiperidine
CID 148499486
(1R,3r,5S)-6-azabicyclo[3.1.1]heptan-3-ol
CID 167728828
3-Ethoxy-6-propan-2-yl-6-azabicyclo[3.1.1]heptane
CID 169176694
(5S)-3-methoxy-6-azabicyclo[3.1.1]heptane
CID 170617411
(5S)-3-ethoxy-6-azabicyclo[3.1.1]heptane
CID 176763842

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-6-azabicyclo[3.1.1]heptane?
The IUPAC name of 3-ethoxy-6-azabicyclo[3.1.1]heptane (CID 169176949) is 3-ethoxy-6-azabicyclo[3.1.1]heptane.
What is the SMILES notation for 3-ethoxy-6-azabicyclo[3.1.1]heptane?
The canonical SMILES for 3-ethoxy-6-azabicyclo[3.1.1]heptane is CCOC1CC2CC(C1)N2.
What is the InChIKey of 3-ethoxy-6-azabicyclo[3.1.1]heptane?
The InChIKey is QCEJRFAHOKEFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-10-8-4-6-3-7(5-8)9-6/h6-9H,2-5H2,1H3.
What are the key properties of 3-ethoxy-6-azabicyclo[3.1.1]heptane?
3-ethoxy-6-azabicyclo[3.1.1]heptane has a molecular weight of 141.21 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-6-azabicyclo[3.1.1]heptane is sourced from PubChem (CID 169176949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).