3-[[(1-ethylimidazol-2-yl)methylamino]methyl]oxolan-3-ol

C11H19N3O2 — CID 103848413

IUPAC3-[[(1-ethylimidazol-2-yl)methylamino]methyl]oxolan-3-ol
SMILESCCn1ccnc1CNCC1(O)CCOC1
InChIInChI=1S/C11H19N3O2/c1-2-14-5-4-13-10(14)7-12-8-11(15)3-6-16-9-11/h4-5,12,15H,2-3,6-9H2,1H3
InChIKeySLNWCKJTFURIBI-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.14
Rot. Bonds5

About 3-[[(1-ethylimidazol-2-yl)methylamino]methyl]oxolan-3-ol

3-[[(1-ethylimidazol-2-yl)methylamino]methyl]oxolan-3-ol (PubChem CID 103848413) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-[[(1-ethylimidazol-2-yl)methylamino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[(1-ethylimidazol-2-yl)methylamino]methyl]oxolan-3-ol
PubChem CID103848413
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name3-[[(1-ethylimidazol-2-yl)methylamino]methyl]oxolan-3-ol
SMILESCCn1ccnc1CNCC1(O)CCOC1
InChIInChI=1S/C11H19N3O2/c1-2-14-5-4-13-10(14)7-12-8-11(15)3-6-16-9-11/h4-5,12,15H,2-3,6-9H2,1H3
InChIKeySLNWCKJTFURIBI-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

1-(1-ethylimidazol-2-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine
CID 103743599
3-[[(3-ethylimidazol-4-yl)methylamino]methyl]oxolan-3-ol
CID 106099901
3-[[(2-ethylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol
CID 115765922
3-[[(4-trimethylsilylphenyl)methylamino]methyl]oxolan-3-ol
CID 106100480
4-ethyl-1-[[(1-propylimidazol-2-yl)methylamino]methyl]cyclohexan-1-ol
CID 65116048
N-[(1-ethylimidazol-2-yl)methyl]-2-morpholin-4-ylethanamine
CID 46784360
3-[[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]methyl]oxolan-3-ol
CID 106100066
4-[(1-ethylimidazol-2-yl)methyl]oxan-4-amine
CID 79743997
N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 46784352
[1-[(1-ethylimidazol-2-yl)methylamino]cyclobutyl]methanol
CID 115733170
3-[[(3-methylimidazol-4-yl)methylamino]methyl]oxolan-3-ol
CID 103848451
3-[[(6-methyl-3-pyridinyl)methylamino]methyl]oxolan-3-ol
CID 104756694

Frequently Asked Questions

What is the IUPAC name of 3-[[(1-ethylimidazol-2-yl)methylamino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[(1-ethylimidazol-2-yl)methylamino]methyl]oxolan-3-ol (CID 103848413) is 3-[[(1-ethylimidazol-2-yl)methylamino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[(1-ethylimidazol-2-yl)methylamino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[(1-ethylimidazol-2-yl)methylamino]methyl]oxolan-3-ol is CCn1ccnc1CNCC1(O)CCOC1.
What is the InChIKey of 3-[[(1-ethylimidazol-2-yl)methylamino]methyl]oxolan-3-ol?
The InChIKey is SLNWCKJTFURIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-2-14-5-4-13-10(14)7-12-8-11(15)3-6-16-9-11/h4-5,12,15H,2-3,6-9H2,1H3.
What are the key properties of 3-[[(1-ethylimidazol-2-yl)methylamino]methyl]oxolan-3-ol?
3-[[(1-ethylimidazol-2-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-[[(1-ethylimidazol-2-yl)methylamino]methyl]oxolan-3-ol is sourced from PubChem (CID 103848413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).