4-[[(3-methyloxetan-3-yl)methylamino]methyl]oxan-4-ol

C11H21NO3 — CID 81130877

IUPAC4-[[(3-methyloxetan-3-yl)methylamino]methyl]oxan-4-ol
SMILESCC1(CNCC2(O)CCOCC2)COC1
InChIInChI=1S/C11H21NO3/c1-10(8-15-9-10)6-12-7-11(13)2-4-14-5-3-11/h12-13H,2-9H2,1H3
InChIKeyBVEWVVXSCHQMIT-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.15
Rot. Bonds4

About 4-[[(3-methyloxetan-3-yl)methylamino]methyl]oxan-4-ol

4-[[(3-methyloxetan-3-yl)methylamino]methyl]oxan-4-ol (PubChem CID 81130877) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 4-[[(3-methyloxetan-3-yl)methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(3-methyloxetan-3-yl)methylamino]methyl]oxan-4-ol
PubChem CID81130877
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name4-[[(3-methyloxetan-3-yl)methylamino]methyl]oxan-4-ol
SMILESCC1(CNCC2(O)CCOCC2)COC1
InChIInChI=1S/C11H21NO3/c1-10(8-15-9-10)6-12-7-11(13)2-4-14-5-3-11/h12-13H,2-9H2,1H3
InChIKeyBVEWVVXSCHQMIT-UHFFFAOYSA-N
XLogP0.15
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(Methylamino)methyl]oxan-4-ol hydrochloride
CID 75466786
4-((Methylamino)methyl)tetrahydro-2H-pyran-4-ol
CID 62775075
4-[(2-Fluoroethylamino)methyl]oxan-4-ol
CID 81131043
4-[(3-Fluoropropylamino)methyl]oxan-4-ol
CID 81131145
4-((Ethylamino)methyl)tetrahydro-2H-pyran-4-ol
CID 62774884
4-{[(Propan-2-yl)amino]methyl}oxan-4-ol
CID 62775100
4-[(2-Hydroxyethylamino)methyl]oxan-4-ol
CID 81130789
4-[(1-Hydroxyethylamino)methyl]oxan-4-ol
CID 134356368
Ethane;4-(methylaminomethyl)oxan-4-ol
CID 177955125
4-((tert-Butylamino)methyl)tetrahydro-2H-pyran-4-ol
CID 62772582
4-[(2-Methylpropylamino)methyl]oxan-4-ol
CID 62772786
4-[(2-Methoxyethylamino)methyl]oxan-4-ol
CID 62773177

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-methyloxetan-3-yl)methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(3-methyloxetan-3-yl)methylamino]methyl]oxan-4-ol (CID 81130877) is 4-[[(3-methyloxetan-3-yl)methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(3-methyloxetan-3-yl)methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(3-methyloxetan-3-yl)methylamino]methyl]oxan-4-ol is CC1(CNCC2(O)CCOCC2)COC1.
What is the InChIKey of 4-[[(3-methyloxetan-3-yl)methylamino]methyl]oxan-4-ol?
The InChIKey is BVEWVVXSCHQMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-10(8-15-9-10)6-12-7-11(13)2-4-14-5-3-11/h12-13H,2-9H2,1H3.
What are the key properties of 4-[[(3-methyloxetan-3-yl)methylamino]methyl]oxan-4-ol?
4-[[(3-methyloxetan-3-yl)methylamino]methyl]oxan-4-ol has a molecular weight of 215.29 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-methyloxetan-3-yl)methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 81130877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).