N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)oxan-4-amine

C12H22N2O2 — CID 66391896

IUPACN-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)oxan-4-amine
SMILESCNC1CCOCC1N1CC2CCC(C1)O2
InChIInChI=1S/C12H22N2O2/c1-13-11-4-5-15-8-12(11)14-6-9-2-3-10(7-14)16-9/h9-13H,2-8H2,1H3
InChIKeyRPMCAHAMCYSCGY-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.23
Rot. Bonds2

About N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)oxan-4-amine

N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)oxan-4-amine (PubChem CID 66391896) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)oxan-4-amine.

Molecular Properties

Compound NameN-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)oxan-4-amine
PubChem CID66391896
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)oxan-4-amine
SMILESCNC1CCOCC1N1CC2CCC(C1)O2
InChIInChI=1S/C12H22N2O2/c1-13-11-4-5-15-8-12(11)14-6-9-2-3-10(7-14)16-9/h9-13H,2-8H2,1H3
InChIKeyRPMCAHAMCYSCGY-UHFFFAOYSA-N
XLogP0.23
TPSA33.73 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 ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,2-dimethylpyrrolidin-1-yl)-N-methyloxan-4-amine
CID 63219436
3-(3,4-dimethoxypyrrolidin-1-yl)-N-ethyloxan-4-amine
CID 103532587
(3S,4R)-4-(methylamino)oxan-3-ol
CID 68677504
N-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(oxolan-3-yl)ethanamine
CID 113448314
3-(methylamino)oxan-4-ol
CID 55287171
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-methylcyclopentan-1-amine
CID 104958406
N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-4-amine
CID 66393839
3-(3,5-diethylpyrazol-1-yl)-N-methyloxan-4-amine
CID 82693590
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylcyclopentan-1-amine
CID 66394027
N-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2,3-dihydro-1H-inden-1-amine
CID 66392493
N,N,4-trimethyl-1-[4-(propylamino)oxan-3-yl]pyrrolidin-3-amine
CID 81464857
N-methyl-3-(4-phenylpyrazol-1-yl)oxan-4-amine
CID 62771844

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)oxan-4-amine?
The IUPAC name of N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)oxan-4-amine (CID 66391896) is N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)oxan-4-amine.
What is the SMILES notation for N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)oxan-4-amine?
The canonical SMILES for N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)oxan-4-amine is CNC1CCOCC1N1CC2CCC(C1)O2.
What is the InChIKey of N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)oxan-4-amine?
The InChIKey is RPMCAHAMCYSCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-13-11-4-5-15-8-12(11)14-6-9-2-3-10(7-14)16-9/h9-13H,2-8H2,1H3.
What are the key properties of N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)oxan-4-amine?
N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)oxan-4-amine has a molecular weight of 226.32 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)oxan-4-amine is sourced from PubChem (CID 66391896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).