3-[(2-methoxypropylamino)methyl]oxolan-3-ol

C9H19NO3 — CID 106100785

IUPAC3-[(2-methoxypropylamino)methyl]oxolan-3-ol
SMILESCOC(C)CNCC1(O)CCOC1
InChIInChI=1S/C9H19NO3/c1-8(12-2)5-10-6-9(11)3-4-13-7-9/h8,10-11H,3-7H2,1-2H3
InChIKeyOMTWXTZTPWGHPE-UHFFFAOYSA-N
MW189.25 g/mol
LogP-0.24
Rot. Bonds5

About 3-[(2-methoxypropylamino)methyl]oxolan-3-ol

3-[(2-methoxypropylamino)methyl]oxolan-3-ol (PubChem CID 106100785) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 3-[(2-methoxypropylamino)methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[(2-methoxypropylamino)methyl]oxolan-3-ol
PubChem CID106100785
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name3-[(2-methoxypropylamino)methyl]oxolan-3-ol
SMILESCOC(C)CNCC1(O)CCOC1
InChIInChI=1S/C9H19NO3/c1-8(12-2)5-10-6-9(11)3-4-13-7-9/h8,10-11H,3-7H2,1-2H3
InChIKeyOMTWXTZTPWGHPE-UHFFFAOYSA-N
XLogP-0.24
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-hydroxyethylamino)methyl]oxolan-3-ol
CID 106100620
4-[[(3-hydroxy-2-methylpropyl)amino]methyl]oxan-4-ol
CID 115746977
methyl 3-[(3-hydroxyoxolan-3-yl)methylamino]-2-methylbutanoate
CID 106100572
3-[(2-propan-2-ylsulfonylethylamino)methyl]oxolan-3-ol
CID 106100386
3-[[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol
CID 106100411
3-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]oxolan-3-ol
CID 106100527
3,3,3-trifluoro-2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]propanenitrile
CID 106100709
3-[[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]methyl]oxolan-3-ol
CID 106100735
methyl 2-[(3-hydroxyoxolan-3-yl)methylamino]butanoate
CID 106100069
3-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]oxolan-3-ol
CID 106099957
3-[[(2-ethyl-2-hydroxybutyl)amino]methyl]oxolan-3-ol
CID 106100787
2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]-2-methylpropane-1,3-diol
CID 106100783

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxypropylamino)methyl]oxolan-3-ol?
The IUPAC name of 3-[(2-methoxypropylamino)methyl]oxolan-3-ol (CID 106100785) is 3-[(2-methoxypropylamino)methyl]oxolan-3-ol.
What is the SMILES notation for 3-[(2-methoxypropylamino)methyl]oxolan-3-ol?
The canonical SMILES for 3-[(2-methoxypropylamino)methyl]oxolan-3-ol is COC(C)CNCC1(O)CCOC1.
What is the InChIKey of 3-[(2-methoxypropylamino)methyl]oxolan-3-ol?
The InChIKey is OMTWXTZTPWGHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-8(12-2)5-10-6-9(11)3-4-13-7-9/h8,10-11H,3-7H2,1-2H3.
What are the key properties of 3-[(2-methoxypropylamino)methyl]oxolan-3-ol?
3-[(2-methoxypropylamino)methyl]oxolan-3-ol has a molecular weight of 189.25 g/mol, XLogP of -0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxypropylamino)methyl]oxolan-3-ol is sourced from PubChem (CID 106100785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).