3-[[(3-ethylimidazol-4-yl)methylamino]methyl]oxolan-3-ol

C11H19N3O2 — CID 106099901

IUPAC3-[[(3-ethylimidazol-4-yl)methylamino]methyl]oxolan-3-ol
SMILESCCn1cncc1CNCC1(O)CCOC1
InChIInChI=1S/C11H19N3O2/c1-2-14-9-13-6-10(14)5-12-7-11(15)3-4-16-8-11/h6,9,12,15H,2-5,7-8H2,1H3
InChIKeyWGTKNLAANCMEEZ-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.14
Rot. Bonds5

About 3-[[(3-ethylimidazol-4-yl)methylamino]methyl]oxolan-3-ol

3-[[(3-ethylimidazol-4-yl)methylamino]methyl]oxolan-3-ol (PubChem CID 106099901) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-[[(3-ethylimidazol-4-yl)methylamino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[(3-ethylimidazol-4-yl)methylamino]methyl]oxolan-3-ol
PubChem CID106099901
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name3-[[(3-ethylimidazol-4-yl)methylamino]methyl]oxolan-3-ol
SMILESCCn1cncc1CNCC1(O)CCOC1
InChIInChI=1S/C11H19N3O2/c1-2-14-9-13-6-10(14)5-12-7-11(15)3-4-16-8-11/h6,9,12,15H,2-5,7-8H2,1H3
InChIKeyWGTKNLAANCMEEZ-UHFFFAOYSA-N
XLogP0.14
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(3-methylimidazol-4-yl)methylamino]methyl]oxolan-3-ol
CID 103848451
3-[[(2-ethylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol
CID 115765922
3-[[(1-ethylimidazol-2-yl)methylamino]methyl]oxolan-3-ol
CID 103848413
[1-[[(3-ethylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol
CID 103965802
3-[[(4-trimethylsilylphenyl)methylamino]methyl]oxolan-3-ol
CID 106100480
N-[(3-ethylimidazol-4-yl)methyl]morpholin-4-amine
CID 83008990
3-[[(1-propylpyrazol-4-yl)methylamino]methyl]oxolan-3-ol
CID 103848292
3-[[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]methyl]oxolan-3-ol
CID 106100066
3-[[(6-methyl-3-pyridinyl)methylamino]methyl]oxolan-3-ol
CID 104756694
(3S)-3-[[[3-(2-methylpropyl)imidazol-4-yl]methylamino]methyl]pyrrolidin-3-ol
CID 95883066
3-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]oxolan-3-ol
CID 115765976
N-[(3-ethylimidazol-4-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 66133411

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-ethylimidazol-4-yl)methylamino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[(3-ethylimidazol-4-yl)methylamino]methyl]oxolan-3-ol (CID 106099901) is 3-[[(3-ethylimidazol-4-yl)methylamino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[(3-ethylimidazol-4-yl)methylamino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[(3-ethylimidazol-4-yl)methylamino]methyl]oxolan-3-ol is CCn1cncc1CNCC1(O)CCOC1.
What is the InChIKey of 3-[[(3-ethylimidazol-4-yl)methylamino]methyl]oxolan-3-ol?
The InChIKey is WGTKNLAANCMEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-2-14-9-13-6-10(14)5-12-7-11(15)3-4-16-8-11/h6,9,12,15H,2-5,7-8H2,1H3.
What are the key properties of 3-[[(3-ethylimidazol-4-yl)methylamino]methyl]oxolan-3-ol?
3-[[(3-ethylimidazol-4-yl)methylamino]methyl]oxolan-3-ol has a molecular weight of 225.29 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-ethylimidazol-4-yl)methylamino]methyl]oxolan-3-ol is sourced from PubChem (CID 106099901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).