3-[[(2-ethyl-2-hydroxybutyl)amino]methyl]oxolan-3-ol

C11H23NO3 — CID 106100787

IUPAC3-[[(2-ethyl-2-hydroxybutyl)amino]methyl]oxolan-3-ol
SMILESCCC(O)(CC)CNCC1(O)CCOC1
InChIInChI=1S/C11H23NO3/c1-3-10(13,4-2)7-12-8-11(14)5-6-15-9-11/h12-14H,3-9H2,1-2H3
InChIKeyDJAPQLUNSFDPNM-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.28
Rot. Bonds6

About 3-[[(2-ethyl-2-hydroxybutyl)amino]methyl]oxolan-3-ol

3-[[(2-ethyl-2-hydroxybutyl)amino]methyl]oxolan-3-ol (PubChem CID 106100787) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-[[(2-ethyl-2-hydroxybutyl)amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[(2-ethyl-2-hydroxybutyl)amino]methyl]oxolan-3-ol
PubChem CID106100787
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name3-[[(2-ethyl-2-hydroxybutyl)amino]methyl]oxolan-3-ol
SMILESCCC(O)(CC)CNCC1(O)CCOC1
InChIInChI=1S/C11H23NO3/c1-3-10(13,4-2)7-12-8-11(14)5-6-15-9-11/h12-14H,3-9H2,1-2H3
InChIKeyDJAPQLUNSFDPNM-UHFFFAOYSA-N
XLogP0.28
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[[(2-ethyl-2-hydroxybutyl)amino]methyl]oxolan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]oxolan-3-ol
CID 106099957
2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]-2-methylpropane-1,3-diol
CID 106100783
3-[(2-hydroxyethylamino)methyl]oxolan-3-ol
CID 106100620
3-[[(3-methyloxolan-3-yl)amino]methyl]pentan-3-ol
CID 114493671
4-[[[2-(hydroxymethyl)-2-methylbutyl]amino]methyl]oxan-4-ol
CID 81419874
3-[(2-propan-2-ylsulfonylethylamino)methyl]oxolan-3-ol
CID 106100386
3-[(but-3-ynylamino)methyl]oxolan-3-ol
CID 106100602
3-[(2-methoxypropylamino)methyl]oxolan-3-ol
CID 106100785
3-[(2-cyclohexylethylamino)methyl]oxolan-3-ol
CID 103529150
3-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]oxolan-3-ol
CID 115765948
3-[[(5,5-dimethyloxolan-2-yl)methylamino]methyl]oxolan-3-ol
CID 106100604
3-[[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol
CID 106100411

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-ethyl-2-hydroxybutyl)amino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[(2-ethyl-2-hydroxybutyl)amino]methyl]oxolan-3-ol (CID 106100787) is 3-[[(2-ethyl-2-hydroxybutyl)amino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[(2-ethyl-2-hydroxybutyl)amino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[(2-ethyl-2-hydroxybutyl)amino]methyl]oxolan-3-ol is CCC(O)(CC)CNCC1(O)CCOC1.
What is the InChIKey of 3-[[(2-ethyl-2-hydroxybutyl)amino]methyl]oxolan-3-ol?
The InChIKey is DJAPQLUNSFDPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-3-10(13,4-2)7-12-8-11(14)5-6-15-9-11/h12-14H,3-9H2,1-2H3.
What are the key properties of 3-[[(2-ethyl-2-hydroxybutyl)amino]methyl]oxolan-3-ol?
3-[[(2-ethyl-2-hydroxybutyl)amino]methyl]oxolan-3-ol has a molecular weight of 217.31 g/mol, XLogP of 0.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-ethyl-2-hydroxybutyl)amino]methyl]oxolan-3-ol is sourced from PubChem (CID 106100787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).