3-[(1-methoxybutan-2-ylamino)methyl]-2-methyloxolan-3-ol

C11H23NO3 — CID 107270775

IUPAC3-[(1-methoxybutan-2-ylamino)methyl]-2-methyloxolan-3-ol
SMILESCCC(COC)NCC1(O)CCOC1C
InChIInChI=1S/C11H23NO3/c1-4-10(7-14-3)12-8-11(13)5-6-15-9(11)2/h9-10,12-13H,4-8H2,1-3H3
InChIKeyRJAQLVMGIXQTIZ-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.54
Rot. Bonds6

About 3-[(1-methoxybutan-2-ylamino)methyl]-2-methyloxolan-3-ol

3-[(1-methoxybutan-2-ylamino)methyl]-2-methyloxolan-3-ol (PubChem CID 107270775) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-[(1-methoxybutan-2-ylamino)methyl]-2-methyloxolan-3-ol.

Molecular Properties

Compound Name3-[(1-methoxybutan-2-ylamino)methyl]-2-methyloxolan-3-ol
PubChem CID107270775
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name3-[(1-methoxybutan-2-ylamino)methyl]-2-methyloxolan-3-ol
SMILESCCC(COC)NCC1(O)CCOC1C
InChIInChI=1S/C11H23NO3/c1-4-10(7-14-3)12-8-11(13)5-6-15-9(11)2/h9-10,12-13H,4-8H2,1-3H3
InChIKeyRJAQLVMGIXQTIZ-UHFFFAOYSA-N
XLogP0.54
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,7-Dimethyl-2,6-dioxa-9-azaspiro[4.5]decane
CID 82719355
3-[(1,1-Difluoropropan-2-ylamino)methyl]-2-methyloxolan-3-ol
CID 106100146
2-Methyl-3-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]oxolan-3-ol
CID 106100897
3-[(2-Fluoroethylamino)methyl]-2-methyloxolan-3-ol
CID 106100915
2-Methyl-3-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]oxolan-3-ol
CID 106100920
3-[(3-Fluoropropylamino)methyl]-2-methyloxolan-3-ol
CID 106100931
2-Methyl-3-[(2,2,2-trifluoroethylamino)methyl]oxolan-3-ol
CID 106100948
2-Methyl-3-[(4,4,4-trifluorobutylamino)methyl]oxolan-3-ol
CID 106101017
2-Methyl-3-[(3,3,3-trifluoropropylamino)methyl]oxolan-3-ol
CID 106101019
3-[(2,2-Difluoroethylamino)methyl]-2-methyloxolan-3-ol
CID 106101073
2-Methyl-3-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]oxolan-3-ol
CID 106101195
2-Methyl-3-[[2-(trifluoromethoxy)ethylamino]methyl]oxolan-3-ol
CID 106101267

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methoxybutan-2-ylamino)methyl]-2-methyloxolan-3-ol?
The IUPAC name of 3-[(1-methoxybutan-2-ylamino)methyl]-2-methyloxolan-3-ol (CID 107270775) is 3-[(1-methoxybutan-2-ylamino)methyl]-2-methyloxolan-3-ol.
What is the SMILES notation for 3-[(1-methoxybutan-2-ylamino)methyl]-2-methyloxolan-3-ol?
The canonical SMILES for 3-[(1-methoxybutan-2-ylamino)methyl]-2-methyloxolan-3-ol is CCC(COC)NCC1(O)CCOC1C.
What is the InChIKey of 3-[(1-methoxybutan-2-ylamino)methyl]-2-methyloxolan-3-ol?
The InChIKey is RJAQLVMGIXQTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-4-10(7-14-3)12-8-11(13)5-6-15-9(11)2/h9-10,12-13H,4-8H2,1-3H3.
What are the key properties of 3-[(1-methoxybutan-2-ylamino)methyl]-2-methyloxolan-3-ol?
3-[(1-methoxybutan-2-ylamino)methyl]-2-methyloxolan-3-ol has a molecular weight of 217.31 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methoxybutan-2-ylamino)methyl]-2-methyloxolan-3-ol is sourced from PubChem (CID 107270775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).