[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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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).