1-[(oxolan-2-ylmethylamino)methyl]azetidin-3-ol

C9H18N2O2 — CID 67354791

IUPAC1-[(oxolan-2-ylmethylamino)methyl]azetidin-3-ol
SMILESOC1CN(CNCC2CCCO2)C1
InChIInChI=1S/C9H18N2O2/c12-8-5-11(6-8)7-10-4-9-2-1-3-13-9/h8-10,12H,1-7H2
InChIKeyDWMRNJWEVCEGHU-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.61
Rot. Bonds4

About 1-[(oxolan-2-ylmethylamino)methyl]azetidin-3-ol

1-[(oxolan-2-ylmethylamino)methyl]azetidin-3-ol (PubChem CID 67354791) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-[(oxolan-2-ylmethylamino)methyl]azetidin-3-ol.

Molecular Properties

Compound Name1-[(oxolan-2-ylmethylamino)methyl]azetidin-3-ol
PubChem CID67354791
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-[(oxolan-2-ylmethylamino)methyl]azetidin-3-ol
SMILESOC1CN(CNCC2CCCO2)C1
InChIInChI=1S/C9H18N2O2/c12-8-5-11(6-8)7-10-4-9-2-1-3-13-9/h8-10,12H,1-7H2
InChIKeyDWMRNJWEVCEGHU-UHFFFAOYSA-N
XLogP-0.61
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-(oxolan-2-ylmethyl)methanamine
CID 3607647
2-[(3S)-3-hydroxypiperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 107225746
N-(oxiran-2-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 126662658
2-(4-hydroxypiperidin-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 27070171
N-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 7437120
N-(oxolan-2-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 82836650
2-(3-azabicyclo[3.3.1]nonan-3-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 114196851
(3S)-1-(oxan-2-ylmethyl)piperidin-3-ol
CID 107225728
1-[(3R)-oxan-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]methanamine
CID 93449844
oxalic acid;N-(oxolan-2-ylmethyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 175652932
2,2-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]propan-1-amine
CID 89411151
1-[[2-(oxan-4-yl)ethylamino]methyl]azetidin-3-ol
CID 67355346

Frequently Asked Questions

What is the IUPAC name of 1-[(oxolan-2-ylmethylamino)methyl]azetidin-3-ol?
The IUPAC name of 1-[(oxolan-2-ylmethylamino)methyl]azetidin-3-ol (CID 67354791) is 1-[(oxolan-2-ylmethylamino)methyl]azetidin-3-ol.
What is the SMILES notation for 1-[(oxolan-2-ylmethylamino)methyl]azetidin-3-ol?
The canonical SMILES for 1-[(oxolan-2-ylmethylamino)methyl]azetidin-3-ol is OC1CN(CNCC2CCCO2)C1.
What is the InChIKey of 1-[(oxolan-2-ylmethylamino)methyl]azetidin-3-ol?
The InChIKey is DWMRNJWEVCEGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c12-8-5-11(6-8)7-10-4-9-2-1-3-13-9/h8-10,12H,1-7H2.
What are the key properties of 1-[(oxolan-2-ylmethylamino)methyl]azetidin-3-ol?
1-[(oxolan-2-ylmethylamino)methyl]azetidin-3-ol has a molecular weight of 186.25 g/mol, XLogP of -0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(oxolan-2-ylmethylamino)methyl]azetidin-3-ol is sourced from PubChem (CID 67354791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).