[2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)oxolan-3-yl]methanamine

C12H22N2O2 — CID 82717981

IUPAC[2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)oxolan-3-yl]methanamine
SMILESCC1OCCC1(CN)N1CC2CCC(C1)O2
InChIInChI=1S/C12H22N2O2/c1-9-12(8-13,4-5-15-9)14-6-10-2-3-11(7-14)16-10/h9-11H,2-8,13H2,1H3
InChIKeyISEKDWDQGQJLIM-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.36
Rot. Bonds2

About [2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)oxolan-3-yl]methanamine

[2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)oxolan-3-yl]methanamine (PubChem CID 82717981) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is [2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)oxolan-3-yl]methanamine.

Molecular Properties

Compound Name[2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)oxolan-3-yl]methanamine
PubChem CID82717981
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name[2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)oxolan-3-yl]methanamine
SMILESCC1OCCC1(CN)N1CC2CCC(C1)O2
InChIInChI=1S/C12H22N2O2/c1-9-12(8-13,4-5-15-9)14-6-10-2-3-11(7-14)16-10/h9-11H,2-8,13H2,1H3
InChIKeyISEKDWDQGQJLIM-UHFFFAOYSA-N
XLogP0.36
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2,6-dimethylmorpholin-4-yl)-2-methyloxolan-3-yl]methanamine
CID 82717624
(2-methyl-3-morpholin-4-yloxolan-3-yl)methanamine
CID 82719374
[3-(4-ethylpiperidin-1-yl)-2-methyloxolan-3-yl]methanamine
CID 82718747
[3-(4-tert-butylpiperidin-1-yl)-2-methyloxolan-3-yl]methanamine
CID 82719050
[2-methyl-3-(2,2,6-trimethylmorpholin-4-yl)oxolan-3-yl]methanamine
CID 82719280
[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methyloxolan-3-yl]methanamine
CID 82718925
1-[1-[3-(aminomethyl)-2-methyloxolan-3-yl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 82719164
[4-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)cyclohexyl]methanamine
CID 66392846
[3-(4-tert-butylazepan-1-yl)-2-methyloxolan-3-yl]methanamine
CID 82718302
[2-methyl-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)oxolan-3-yl]methanamine
CID 82718467
[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)oxepan-4-yl]methanamine
CID 66392857
[3-ethyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)cyclohexyl]methanamine
CID 66392860

Frequently Asked Questions

What is the IUPAC name of [2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)oxolan-3-yl]methanamine?
The IUPAC name of [2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)oxolan-3-yl]methanamine (CID 82717981) is [2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)oxolan-3-yl]methanamine.
What is the SMILES notation for [2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)oxolan-3-yl]methanamine?
The canonical SMILES for [2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)oxolan-3-yl]methanamine is CC1OCCC1(CN)N1CC2CCC(C1)O2.
What is the InChIKey of [2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)oxolan-3-yl]methanamine?
The InChIKey is ISEKDWDQGQJLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9-12(8-13,4-5-15-9)14-6-10-2-3-11(7-14)16-10/h9-11H,2-8,13H2,1H3.
What are the key properties of [2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)oxolan-3-yl]methanamine?
[2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)oxolan-3-yl]methanamine has a molecular weight of 226.32 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)oxolan-3-yl]methanamine is sourced from PubChem (CID 82717981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).