ethane;6-methyl-3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptane

C12H23NO — CID 171824253

IUPACethane;6-methyl-3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptane
SMILESCC.CC1C2CC1CN(C1COC1)C2
InChIInChI=1S/C10H17NO.C2H6/c1-7-8-2-9(7)4-11(3-8)10-5-12-6-10;1-2/h7-10H,2-6H2,1H3;1-2H3
InChIKeyAWENFBAYZYALDB-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.00
Rot. Bonds1

About ethane;6-methyl-3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptane

ethane;6-methyl-3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptane (PubChem CID 171824253) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is ethane;6-methyl-3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptane.

Molecular Properties

Compound Nameethane;6-methyl-3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptane
PubChem CID171824253
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Nameethane;6-methyl-3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptane
SMILESCC.CC1C2CC1CN(C1COC1)C2
InChIInChI=1S/C10H17NO.C2H6/c1-7-8-2-9(7)4-11(3-8)10-5-12-6-10;1-2/h7-10H,2-6H2,1H3;1-2H3
InChIKeyAWENFBAYZYALDB-UHFFFAOYSA-N
XLogP2.00
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Fluoro-1-(oxetan-3-yl)-4-propan-2-ylpiperidine
CID 145316268
(3S,4S)-3-fluoro-1-(oxetan-3-yl)-4-propan-2-ylpiperidine
CID 164740921
(3S,4R)-3-fluoro-1-(oxetan-3-yl)-4-propan-2-ylpiperidine
CID 164740924
(3R,4R)-3-fluoro-1-(oxetan-3-yl)-4-propan-2-ylpiperidine
CID 164740932
(3R,4S)-3-fluoro-1-(oxetan-3-yl)-4-propan-2-ylpiperidine
CID 164740933
4-Fluoro-1-(oxetan-3-yl)-4-propan-2-ylpiperidine
CID 169805057
3-Fluoro-3,4-dimethyl-1-(oxetan-3-yl)piperidine
CID 171550996
3-(2-Methoxyethyl)-3-azabicyclo[3.1.1]heptane
CID 57979642
2-(2-Methoxyethyl)-2-azabicyclo[3.1.1]heptane
CID 57979662
1-(Oxetan-3-yl)-4-propan-2-ylpiperidine
CID 58054341
4-(3-Tert-butylcyclobutyl)morpholine
CID 58209161
4-Tert-butyl-1-(oxetan-3-yl)piperidine
CID 58395210

Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptane?
The IUPAC name of ethane;6-methyl-3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptane (CID 171824253) is ethane;6-methyl-3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptane.
What is the SMILES notation for ethane;6-methyl-3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptane?
The canonical SMILES for ethane;6-methyl-3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptane is CC.CC1C2CC1CN(C1COC1)C2.
What is the InChIKey of ethane;6-methyl-3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptane?
The InChIKey is AWENFBAYZYALDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO.C2H6/c1-7-8-2-9(7)4-11(3-8)10-5-12-6-10;1-2/h7-10H,2-6H2,1H3;1-2H3.
What are the key properties of ethane;6-methyl-3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptane?
ethane;6-methyl-3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptane has a molecular weight of 197.32 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptane is sourced from PubChem (CID 171824253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).