[3-ethoxy-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)cyclobutyl]methanamine

C13H24N2O2 — CID 106822190

IUPAC[3-ethoxy-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)cyclobutyl]methanamine
SMILESCCOC1CC(CN)(N2CC3CCC(C2)O3)C1
InChIInChI=1S/C13H24N2O2/c1-2-16-12-5-13(6-12,9-14)15-7-10-3-4-11(8-15)17-10/h10-12H,2-9,14H2,1H3
InChIKeyJSUWAYPBHXCMLT-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.75
Rot. Bonds4

About [3-ethoxy-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)cyclobutyl]methanamine

[3-ethoxy-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)cyclobutyl]methanamine (PubChem CID 106822190) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is [3-ethoxy-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[3-ethoxy-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)cyclobutyl]methanamine
PubChem CID106822190
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name[3-ethoxy-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)cyclobutyl]methanamine
SMILESCCOC1CC(CN)(N2CC3CCC(C2)O3)C1
InChIInChI=1S/C13H24N2O2/c1-2-16-12-5-13(6-12,9-14)15-7-10-3-4-11(8-15)17-10/h10-12H,2-9,14H2,1H3
InChIKeyJSUWAYPBHXCMLT-UHFFFAOYSA-N
XLogP0.75
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)cyclohexyl]methanamine
CID 66392846
[1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-ethoxycyclobutyl]methanamine
CID 106821889
[3-ethyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)cyclohexyl]methanamine
CID 66392860
[1-(1,3-dihydroisoindol-2-yl)-3-ethoxycyclobutyl]methanamine
CID 106821998
[1-(3-ethoxypiperidin-1-yl)-3-methylcyclobutyl]methanamine
CID 103562756
[1-(2,6-dimethylmorpholin-4-yl)-3-methoxycyclobutyl]methanamine
CID 106821672
[1-(4-ethoxypiperidin-1-yl)-3,5-dimethylcyclohexyl]methanamine
CID 64751461
[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)oxepan-4-yl]methanamine
CID 66392857
[3-ethoxy-1-(2-propan-2-ylpyrrolidin-1-yl)cyclobutyl]methanamine
CID 106822187
[3-(3-ethoxypiperidin-1-yl)-1,5-dimethylpyrrolidin-3-yl]methanamine
CID 81468396
(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 114829508
3-ethoxy-2,2-dimethyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclobutan-1-amine
CID 114830674

Frequently Asked Questions

What is the IUPAC name of [3-ethoxy-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)cyclobutyl]methanamine?
The IUPAC name of [3-ethoxy-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)cyclobutyl]methanamine (CID 106822190) is [3-ethoxy-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)cyclobutyl]methanamine.
What is the SMILES notation for [3-ethoxy-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)cyclobutyl]methanamine?
The canonical SMILES for [3-ethoxy-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)cyclobutyl]methanamine is CCOC1CC(CN)(N2CC3CCC(C2)O3)C1.
What is the InChIKey of [3-ethoxy-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)cyclobutyl]methanamine?
The InChIKey is JSUWAYPBHXCMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-2-16-12-5-13(6-12,9-14)15-7-10-3-4-11(8-15)17-10/h10-12H,2-9,14H2,1H3.
What are the key properties of [3-ethoxy-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)cyclobutyl]methanamine?
[3-ethoxy-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)cyclobutyl]methanamine has a molecular weight of 240.35 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethoxy-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)cyclobutyl]methanamine is sourced from PubChem (CID 106822190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).