5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(methylamino)pentan-1-ol

C13H28N2O2 — CID 104961381

IUPAC5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(methylamino)pentan-1-ol
SMILESCNC(C)(CO)CCCN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C13H28N2O2/c1-11-8-15(9-12(2)17-11)7-5-6-13(3,10-16)14-4/h11-12,14,16H,5-10H2,1-4H3/t11-,12+,13?
InChIKeyIPBRPXLLYOFTNQ-FUNVUKJBSA-N
MW244.38 g/mol
LogP0.85
Rot. Bonds6

About 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(methylamino)pentan-1-ol

5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(methylamino)pentan-1-ol (PubChem CID 104961381) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(methylamino)pentan-1-ol.

Molecular Properties

Compound Name5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(methylamino)pentan-1-ol
PubChem CID104961381
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(methylamino)pentan-1-ol
SMILESCNC(C)(CO)CCCN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C13H28N2O2/c1-11-8-15(9-12(2)17-11)7-5-6-13(3,10-16)14-4/h11-12,14,16H,5-10H2,1-4H3/t11-,12+,13?
InChIKeyIPBRPXLLYOFTNQ-FUNVUKJBSA-N
XLogP0.85
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(Dimethylamino)-2-methyl-4-[2-(methylamino)ethoxy]pentan-1-ol
CID 18914712
2-Methyl-3-morpholin-2-ylpropan-1-ol
CID 53806177
2-(2-Aminoethyl)-1-(2,6-dimethylmorpholin-4-yl)pentan-1-ol
CID 70974454
2-Amino-5-(ethylamino)-2-methylpentane-1,4-diol
CID 90990354
1-(2,5,5-Trimethylmorpholin-2-yl)propan-2-ol
CID 117821929
2-Amino-2-methyl-5-piperidin-1-ylpentane-1,4-diol
CID 123382529
[(2S)-1-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 141468137
[(2R)-1-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 141468147
5-[[1-[2-(Tert-butylamino)ethoxy]-2-methylpropan-2-yl]amino]pentan-1-ol
CID 156142389
2-[1-(2-Ethoxyethyl)piperidin-4-yl]-1-(methylamino)ethanol
CID 177202230
2-Methyl-2-(oxolan-2-ylmethylamino)propan-1-ol
CID 43416488
2-Methyl-2-(oxan-2-ylmethylamino)propan-1-ol
CID 43421982

Frequently Asked Questions

What is the IUPAC name of 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(methylamino)pentan-1-ol?
The IUPAC name of 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(methylamino)pentan-1-ol (CID 104961381) is 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(methylamino)pentan-1-ol.
What is the SMILES notation for 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(methylamino)pentan-1-ol?
The canonical SMILES for 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(methylamino)pentan-1-ol is CNC(C)(CO)CCCN1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(methylamino)pentan-1-ol?
The InChIKey is IPBRPXLLYOFTNQ-FUNVUKJBSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-11-8-15(9-12(2)17-11)7-5-6-13(3,10-16)14-4/h11-12,14,16H,5-10H2,1-4H3/t11-,12+,13?.
What are the key properties of 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(methylamino)pentan-1-ol?
5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(methylamino)pentan-1-ol has a molecular weight of 244.38 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(methylamino)pentan-1-ol is sourced from PubChem (CID 104961381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).