4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]oxan-4-amine

C12H24N2O2 — CID 104959111

IUPAC4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]oxan-4-amine
SMILESC[C@@H]1CN(CC2(N)CCOCC2)C[C@H](C)O1
InChIInChI=1S/C12H24N2O2/c1-10-7-14(8-11(2)16-10)9-12(13)3-5-15-6-4-12/h10-11H,3-9,13H2,1-2H3/t10-,11+
InChIKeyAEPSQWFXQWEIKI-PHIMTYICSA-N
MW228.34 g/mol
LogP0.60
Rot. Bonds2

About 4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]oxan-4-amine

4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]oxan-4-amine (PubChem CID 104959111) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]oxan-4-amine.

Molecular Properties

Compound Name4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]oxan-4-amine
PubChem CID104959111
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]oxan-4-amine
SMILESC[C@@H]1CN(CC2(N)CCOCC2)C[C@H](C)O1
InChIInChI=1S/C12H24N2O2/c1-10-7-14(8-11(2)16-10)9-12(13)3-5-15-6-4-12/h10-11H,3-9,13H2,1-2H3/t10-,11+
InChIKeyAEPSQWFXQWEIKI-PHIMTYICSA-N
XLogP0.60
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]oxan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2,6-dimethylmorpholin-4-yl)methyl]oxan-4-amine
CID 115295276
N-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]oxan-4-yl]methyl]propan-1-amine
CID 104960649
3-[(2,6-dimethylmorpholin-4-yl)methyl]oxolane-3-carbaldehyde
CID 62278460
2-[1-[(2,6-dimethylmorpholin-4-yl)methyl]cyclopropyl]ethanethioamide
CID 65498498
[4-(2,6-dimethylmorpholin-4-yl)oxan-4-yl]methanamine
CID 43608670
4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-4-ol
CID 62221665
4-[(4-cyclopropylpiperazin-1-yl)methyl]oxan-4-amine
CID 115295408
4-(3,6-dihydro-2H-pyridin-1-ylmethyl)oxan-4-amine
CID 114410477
[1-[(2,6-dimethylmorpholin-4-yl)methyl]cyclopropyl]methanol;ethane
CID 177216803
[1-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]cyclobutyl]methanethiol
CID 104961708
4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)oxan-4-amine
CID 115295423
4-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]oxan-4-amine
CID 107456216

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]oxan-4-amine?
The IUPAC name of 4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]oxan-4-amine (CID 104959111) is 4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]oxan-4-amine.
What is the SMILES notation for 4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]oxan-4-amine?
The canonical SMILES for 4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]oxan-4-amine is C[C@@H]1CN(CC2(N)CCOCC2)C[C@H](C)O1.
What is the InChIKey of 4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]oxan-4-amine?
The InChIKey is AEPSQWFXQWEIKI-PHIMTYICSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10-7-14(8-11(2)16-10)9-12(13)3-5-15-6-4-12/h10-11H,3-9,13H2,1-2H3/t10-,11+.
What are the key properties of 4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]oxan-4-amine?
4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]oxan-4-amine has a molecular weight of 228.34 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]oxan-4-amine is sourced from PubChem (CID 104959111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).