N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-[(2R)-oxan-2-yl]methanamine

C12H24N2O2 — CID 129432103

IUPACN-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-[(2R)-oxan-2-yl]methanamine
SMILESCN1CCO[C@@H](CNC[C@H]2CCCCO2)C1
InChIInChI=1S/C12H24N2O2/c1-14-5-7-16-12(10-14)9-13-8-11-4-2-3-6-15-11/h11-13H,2-10H2,1H3/t11-,12+/m1/s1
InChIKeySJDVRLGNOWKZFL-NEPJUHHUSA-N
MW228.34 g/mol
LogP0.48
Rot. Bonds4

About N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-[(2R)-oxan-2-yl]methanamine

N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-[(2R)-oxan-2-yl]methanamine (PubChem CID 129432103) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-[(2R)-oxan-2-yl]methanamine.

Molecular Properties

Compound NameN-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-[(2R)-oxan-2-yl]methanamine
PubChem CID129432103
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-[(2R)-oxan-2-yl]methanamine
SMILESCN1CCO[C@@H](CNC[C@H]2CCCCO2)C1
InChIInChI=1S/C12H24N2O2/c1-14-5-7-16-12(10-14)9-13-8-11-4-2-3-6-15-11/h11-13H,2-10H2,1H3/t11-,12+/m1/s1
InChIKeySJDVRLGNOWKZFL-NEPJUHHUSA-N
XLogP0.48
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorocyclohexyl)-N-[(4-methylmorpholin-2-yl)methyl]methanamine
CID 106123425
1-(2-chlorocyclopentyl)-N-[(4-methylmorpholin-2-yl)methyl]methanamine
CID 79182406
N-[(4-methylmorpholin-2-yl)methyl]-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine
CID 102897468
2,2-dicyclopropyl-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 79172002
N-[(1-methylcyclobutyl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 106813132
N-[[(2S)-4-methylmorpholin-2-yl]methyl]propan-2-amine
CID 96645037
2-methyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexan-1-amine
CID 79082849
3-chloro-N-[(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79181889
2-ethyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]butan-1-amine
CID 97045075
N-[(1-methylcyclopropyl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 107166209
(1S)-1-cyclohexyl-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 81384591
3-ethyl-N-[(4-methylmorpholin-2-yl)methyl]pentan-3-amine
CID 79172199

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-[(2R)-oxan-2-yl]methanamine?
The IUPAC name of N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-[(2R)-oxan-2-yl]methanamine (CID 129432103) is N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-[(2R)-oxan-2-yl]methanamine.
What is the SMILES notation for N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-[(2R)-oxan-2-yl]methanamine?
The canonical SMILES for N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-[(2R)-oxan-2-yl]methanamine is CN1CCO[C@@H](CNC[C@H]2CCCCO2)C1.
What is the InChIKey of N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-[(2R)-oxan-2-yl]methanamine?
The InChIKey is SJDVRLGNOWKZFL-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-14-5-7-16-12(10-14)9-13-8-11-4-2-3-6-15-11/h11-13H,2-10H2,1H3/t11-,12+/m1/s1.
What are the key properties of N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-[(2R)-oxan-2-yl]methanamine?
N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-[(2R)-oxan-2-yl]methanamine has a molecular weight of 228.34 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-[(2R)-oxan-2-yl]methanamine is sourced from PubChem (CID 129432103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).