2-[[[3-hydroxy-2-[[(3-methoxyoxan-4-yl)-methylamino]methyl]oxan-4-yl]-methylamino]methyl]-4-(methylamino)oxan-3-ol

C21H41N3O6 — CID 170108368

IUPAC2-[[[3-hydroxy-2-[[(3-methoxyoxan-4-yl)-methylamino]methyl]oxan-4-yl]-methylamino]methyl]-4-(methylamino)oxan-3-ol
SMILESCNC1CCOC(CN(C)C2CCOC(CN(C)C3CCOCC3OC)C2O)C1O
InChIInChI=1S/C21H41N3O6/c1-22-14-5-9-29-17(20(14)25)11-24(3)16-7-10-30-18(21(16)26)12-23(2)15-6-8-28-13-19(15)27-4/h14-22,25-26H,5-13H2,1-4H3
InChIKeyYYNLNAZSHITRME-UHFFFAOYSA-N
MW431.57 g/mol
LogP-1.09
Rot. Bonds8

About 2-[[[3-hydroxy-2-[[(3-methoxyoxan-4-yl)-methylamino]methyl]oxan-4-yl]-methylamino]methyl]-4-(methylamino)oxan-3-ol

2-[[[3-hydroxy-2-[[(3-methoxyoxan-4-yl)-methylamino]methyl]oxan-4-yl]-methylamino]methyl]-4-(methylamino)oxan-3-ol (PubChem CID 170108368) has the molecular formula C21H41N3O6 and a molecular weight of 431.57 g/mol. Its IUPAC name is 2-[[[3-hydroxy-2-[[(3-methoxyoxan-4-yl)-methylamino]methyl]oxan-4-yl]-methylamino]methyl]-4-(methylamino)oxan-3-ol.

Molecular Properties

Compound Name2-[[[3-hydroxy-2-[[(3-methoxyoxan-4-yl)-methylamino]methyl]oxan-4-yl]-methylamino]methyl]-4-(methylamino)oxan-3-ol
PubChem CID170108368
Molecular FormulaC21H41N3O6
Molecular Weight431.57 g/mol
Exact Mass431.30
IUPAC Name2-[[[3-hydroxy-2-[[(3-methoxyoxan-4-yl)-methylamino]methyl]oxan-4-yl]-methylamino]methyl]-4-(methylamino)oxan-3-ol
SMILESCNC1CCOC(CN(C)C2CCOC(CN(C)C3CCOCC3OC)C2O)C1O
InChIInChI=1S/C21H41N3O6/c1-22-14-5-9-29-17(20(14)25)11-24(3)16-7-10-30-18(21(16)26)12-23(2)15-6-8-28-13-19(15)27-4/h14-22,25-26H,5-13H2,1-4H3
InChIKeyYYNLNAZSHITRME-UHFFFAOYSA-N
XLogP-1.09
TPSA95.89 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.57
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-[[[3-hydroxy-2-[[(3-methoxyoxan-4-yl)-methylamino]methyl]oxan-4-yl]-methylamino]methyl]-4-(methylamino)oxan-3-ol with MolForge

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Related Compounds

(3R,4R)-4-methoxy-N-methyloxan-3-amine;hydrochloride
CID 178190292
(3S,4R)-4-(methylamino)oxan-3-ol
CID 68677504
3-(methylamino)oxan-4-ol
CID 55287171
(3R,4S)-4-tert-butyl-2-[2-(3-methoxyoxan-4-yl)propyl]oxan-3-ol
CID 146570273
N'-(4-methoxyoxolan-3-yl)-N'-methylmethanediamine
CID 177342052
N-methyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 115213705
N-(4-methoxyoxan-3-yl)acetamide
CID 157037977
(3S,4S)-3-methoxy-N-[(1S)-1-phenylethyl]oxan-4-amine
CID 58035147
3-[(4-methoxyphenyl)methyl]-N-methyloxan-4-amine
CID 71648106
2-(3-fluorophenyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]acetamide
CID 91787465
1-[methyl-[[4-(methylamino)oxan-3-yl]methyl]amino]propan-2-ol
CID 103059860
N-(3-methoxyoxan-4-yl)-N-methylpiperidin-4-amine;dihydrochloride
CID 162328763

Frequently Asked Questions

What is the IUPAC name of 2-[[[3-hydroxy-2-[[(3-methoxyoxan-4-yl)-methylamino]methyl]oxan-4-yl]-methylamino]methyl]-4-(methylamino)oxan-3-ol?
The IUPAC name of 2-[[[3-hydroxy-2-[[(3-methoxyoxan-4-yl)-methylamino]methyl]oxan-4-yl]-methylamino]methyl]-4-(methylamino)oxan-3-ol (CID 170108368) is 2-[[[3-hydroxy-2-[[(3-methoxyoxan-4-yl)-methylamino]methyl]oxan-4-yl]-methylamino]methyl]-4-(methylamino)oxan-3-ol.
What is the SMILES notation for 2-[[[3-hydroxy-2-[[(3-methoxyoxan-4-yl)-methylamino]methyl]oxan-4-yl]-methylamino]methyl]-4-(methylamino)oxan-3-ol?
The canonical SMILES for 2-[[[3-hydroxy-2-[[(3-methoxyoxan-4-yl)-methylamino]methyl]oxan-4-yl]-methylamino]methyl]-4-(methylamino)oxan-3-ol is CNC1CCOC(CN(C)C2CCOC(CN(C)C3CCOCC3OC)C2O)C1O.
What is the InChIKey of 2-[[[3-hydroxy-2-[[(3-methoxyoxan-4-yl)-methylamino]methyl]oxan-4-yl]-methylamino]methyl]-4-(methylamino)oxan-3-ol?
The InChIKey is YYNLNAZSHITRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41N3O6/c1-22-14-5-9-29-17(20(14)25)11-24(3)16-7-10-30-18(21(16)26)12-23(2)15-6-8-28-13-19(15)27-4/h14-22,25-26H,5-13H2,1-4H3.
What are the key properties of 2-[[[3-hydroxy-2-[[(3-methoxyoxan-4-yl)-methylamino]methyl]oxan-4-yl]-methylamino]methyl]-4-(methylamino)oxan-3-ol?
2-[[[3-hydroxy-2-[[(3-methoxyoxan-4-yl)-methylamino]methyl]oxan-4-yl]-methylamino]methyl]-4-(methylamino)oxan-3-ol has a molecular weight of 431.57 g/mol, XLogP of -1.09, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[3-hydroxy-2-[[(3-methoxyoxan-4-yl)-methylamino]methyl]oxan-4-yl]-methylamino]methyl]-4-(methylamino)oxan-3-ol is sourced from PubChem (CID 170108368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).