2-methyl-3-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]oxolan-3-ol

C12H21N3O2 — CID 106101046

IUPAC2-methyl-3-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]oxolan-3-ol
SMILESCC1OCCC1(O)CNCCc1nccn1C
InChIInChI=1S/C12H21N3O2/c1-10-12(16,4-8-17-10)9-13-5-3-11-14-6-7-15(11)2/h6-7,10,13,16H,3-5,8-9H2,1-2H3
InChIKeySHUVZECDTZBBIV-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.09
Rot. Bonds5

About 2-methyl-3-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]oxolan-3-ol

2-methyl-3-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]oxolan-3-ol (PubChem CID 106101046) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-methyl-3-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name2-methyl-3-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]oxolan-3-ol
PubChem CID106101046
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-methyl-3-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]oxolan-3-ol
SMILESCC1OCCC1(O)CNCCc1nccn1C
InChIInChI=1S/C12H21N3O2/c1-10-12(16,4-8-17-10)9-13-5-3-11-14-6-7-15(11)2/h6-7,10,13,16H,3-5,8-9H2,1-2H3
InChIKeySHUVZECDTZBBIV-UHFFFAOYSA-N
XLogP0.09
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]cyclopentan-1-ol
CID 65210949
2-methyl-3-[[1-(1-methylimidazol-2-yl)ethylamino]methyl]oxolan-3-ol
CID 107270667
2-methyl-N-[[2-methyl-3-[2-(1-methylimidazol-2-yl)ethyl]oxolan-3-yl]methyl]propan-1-amine
CID 114535136
2-methyl-3-[[(2-methylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol
CID 107268404
2-(1-methylimidazol-2-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 62385869
2-methyl-3-[[(1-methylpyrrol-2-yl)methylamino]methyl]oxolan-3-ol
CID 107268488
2-methyl-4-[(1-methylimidazol-2-yl)methyl]oxan-4-ol
CID 79743877
2-methyl-3-[[(2-propylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol
CID 106100232
3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]propanoic acid
CID 106101058
4-[2-(1-methylimidazol-2-yl)ethyl]oxan-4-ol
CID 114529027
N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 61214414
3-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107268308

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]oxolan-3-ol?
The IUPAC name of 2-methyl-3-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]oxolan-3-ol (CID 106101046) is 2-methyl-3-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]oxolan-3-ol.
What is the SMILES notation for 2-methyl-3-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]oxolan-3-ol?
The canonical SMILES for 2-methyl-3-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]oxolan-3-ol is CC1OCCC1(O)CNCCc1nccn1C.
What is the InChIKey of 2-methyl-3-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]oxolan-3-ol?
The InChIKey is SHUVZECDTZBBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-10-12(16,4-8-17-10)9-13-5-3-11-14-6-7-15(11)2/h6-7,10,13,16H,3-5,8-9H2,1-2H3.
What are the key properties of 2-methyl-3-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]oxolan-3-ol?
2-methyl-3-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]oxolan-3-ol has a molecular weight of 239.32 g/mol, XLogP of 0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]oxolan-3-ol is sourced from PubChem (CID 106101046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).