3-[[2-(oxolan-2-yl)ethylamino]methyl]oxolan-3-ol

C11H21NO3 — CID 106100567

IUPAC3-[[2-(oxolan-2-yl)ethylamino]methyl]oxolan-3-ol
SMILESOC1(CNCCC2CCCO2)CCOC1
InChIInChI=1S/C11H21NO3/c13-11(4-7-14-9-11)8-12-5-3-10-2-1-6-15-10/h10,12-13H,1-9H2
InChIKeyRTYUMMPVNVLCHF-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.30
Rot. Bonds5

About 3-[[2-(oxolan-2-yl)ethylamino]methyl]oxolan-3-ol

3-[[2-(oxolan-2-yl)ethylamino]methyl]oxolan-3-ol (PubChem CID 106100567) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 3-[[2-(oxolan-2-yl)ethylamino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[2-(oxolan-2-yl)ethylamino]methyl]oxolan-3-ol
PubChem CID106100567
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name3-[[2-(oxolan-2-yl)ethylamino]methyl]oxolan-3-ol
SMILESOC1(CNCCC2CCCO2)CCOC1
InChIInChI=1S/C11H21NO3/c13-11(4-7-14-9-11)8-12-5-3-10-2-1-6-15-10/h10,12-13H,1-9H2
InChIKeyRTYUMMPVNVLCHF-UHFFFAOYSA-N
XLogP0.30
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(2-cyclohexylethylamino)methyl]oxolan-3-ol
CID 103529150
3-[3-(oxolan-2-yl)propyl]oxolan-3-ol
CID 65162171
3-[(2-hydroxyethylamino)methyl]oxolan-3-ol
CID 106100620
N-[(1-methylcyclopentyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 65163534
4-[3-(oxolan-2-yl)propyl]oxan-4-ol
CID 65162115
N,N-dimethyl-1-[[2-(oxolan-2-yl)ethylamino]methyl]cyclobutan-1-amine
CID 105416779
3-[(but-3-ynylamino)methyl]oxolan-3-ol
CID 106100602
N-[[3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methyl]ethanamine
CID 65165659
1-[2-(oxolan-2-yl)ethyl]cyclopentan-1-ol
CID 65162273
2-(oxolan-2-yl)-N-[(4-propylpiperidin-4-yl)methyl]ethanamine
CID 63129724
1-[2-(oxolan-2-yl)ethyl]cycloheptan-1-ol
CID 65162275
1-[2-(oxan-2-yl)ethyl]cyclobutan-1-ol
CID 115073640

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(oxolan-2-yl)ethylamino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[2-(oxolan-2-yl)ethylamino]methyl]oxolan-3-ol (CID 106100567) is 3-[[2-(oxolan-2-yl)ethylamino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[2-(oxolan-2-yl)ethylamino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[2-(oxolan-2-yl)ethylamino]methyl]oxolan-3-ol is OC1(CNCCC2CCCO2)CCOC1.
What is the InChIKey of 3-[[2-(oxolan-2-yl)ethylamino]methyl]oxolan-3-ol?
The InChIKey is RTYUMMPVNVLCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c13-11(4-7-14-9-11)8-12-5-3-10-2-1-6-15-10/h10,12-13H,1-9H2.
What are the key properties of 3-[[2-(oxolan-2-yl)ethylamino]methyl]oxolan-3-ol?
3-[[2-(oxolan-2-yl)ethylamino]methyl]oxolan-3-ol has a molecular weight of 215.29 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(oxolan-2-yl)ethylamino]methyl]oxolan-3-ol is sourced from PubChem (CID 106100567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).