6-ethyl-2-(oxetan-3-yl)-2,6-diazabicyclo[3.2.0]heptane

C10H18N2O — CID 167264976

IUPAC6-ethyl-2-(oxetan-3-yl)-2,6-diazabicyclo[3.2.0]heptane
SMILESCCN1CC2C1CCN2C1COC1
InChIInChI=1S/C10H18N2O/c1-2-11-5-10-9(11)3-4-12(10)8-6-13-7-8/h8-10H,2-7H2,1H3
InChIKeyZAXIRLMSRZWMSK-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.16
Rot. Bonds2

About 6-ethyl-2-(oxetan-3-yl)-2,6-diazabicyclo[3.2.0]heptane

6-ethyl-2-(oxetan-3-yl)-2,6-diazabicyclo[3.2.0]heptane (PubChem CID 167264976) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 6-ethyl-2-(oxetan-3-yl)-2,6-diazabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name6-ethyl-2-(oxetan-3-yl)-2,6-diazabicyclo[3.2.0]heptane
PubChem CID167264976
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name6-ethyl-2-(oxetan-3-yl)-2,6-diazabicyclo[3.2.0]heptane
SMILESCCN1CC2C1CCN2C1COC1
InChIInChI=1S/C10H18N2O/c1-2-11-5-10-9(11)3-4-12(10)8-6-13-7-8/h8-10H,2-7H2,1H3
InChIKeyZAXIRLMSRZWMSK-UHFFFAOYSA-N
XLogP0.16
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-(oxetan-3-yl)-2,6-diazabicyclo[3.2.0]heptane?
The IUPAC name of 6-ethyl-2-(oxetan-3-yl)-2,6-diazabicyclo[3.2.0]heptane (CID 167264976) is 6-ethyl-2-(oxetan-3-yl)-2,6-diazabicyclo[3.2.0]heptane.
What is the SMILES notation for 6-ethyl-2-(oxetan-3-yl)-2,6-diazabicyclo[3.2.0]heptane?
The canonical SMILES for 6-ethyl-2-(oxetan-3-yl)-2,6-diazabicyclo[3.2.0]heptane is CCN1CC2C1CCN2C1COC1.
What is the InChIKey of 6-ethyl-2-(oxetan-3-yl)-2,6-diazabicyclo[3.2.0]heptane?
The InChIKey is ZAXIRLMSRZWMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-2-11-5-10-9(11)3-4-12(10)8-6-13-7-8/h8-10H,2-7H2,1H3.
What are the key properties of 6-ethyl-2-(oxetan-3-yl)-2,6-diazabicyclo[3.2.0]heptane?
6-ethyl-2-(oxetan-3-yl)-2,6-diazabicyclo[3.2.0]heptane has a molecular weight of 182.27 g/mol, XLogP of 0.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-(oxetan-3-yl)-2,6-diazabicyclo[3.2.0]heptane is sourced from PubChem (CID 167264976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).