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

C12H21N3O2 — CID 107270667

IUPAC2-methyl-3-[[1-(1-methylimidazol-2-yl)ethylamino]methyl]oxolan-3-ol
SMILESCC(NCC1(O)CCOC1C)c1nccn1C
InChIInChI=1S/C12H21N3O2/c1-9(11-13-5-6-15(11)3)14-8-12(16)4-7-17-10(12)2/h5-6,9-10,14,16H,4,7-8H2,1-3H3
InChIKeySBBLMVSGWXVKJL-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.61
Rot. Bonds4

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

2-methyl-3-[[1-(1-methylimidazol-2-yl)ethylamino]methyl]oxolan-3-ol (PubChem CID 107270667) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-methyl-3-[[1-(1-methylimidazol-2-yl)ethylamino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name2-methyl-3-[[1-(1-methylimidazol-2-yl)ethylamino]methyl]oxolan-3-ol
PubChem CID107270667
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-methyl-3-[[1-(1-methylimidazol-2-yl)ethylamino]methyl]oxolan-3-ol
SMILESCC(NCC1(O)CCOC1C)c1nccn1C
InChIInChI=1S/C12H21N3O2/c1-9(11-13-5-6-15(11)3)14-8-12(16)4-7-17-10(12)2/h5-6,9-10,14,16H,4,7-8H2,1-3H3
InChIKeySBBLMVSGWXVKJL-UHFFFAOYSA-N
XLogP0.61
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]oxolan-3-ol
CID 106101046
3-[[1-(1,3-dimethylpyrazol-4-yl)ethylamino]methyl]-2-methyloxolan-3-ol
CID 107270802
N-[(1-cyclopropylcyclopropyl)methyl]-1-(1-methylimidazol-2-yl)ethanamine
CID 115901551
3-[[1-(5-bromofuran-2-yl)ethylamino]methyl]-2-methyloxolan-3-ol
CID 107270892
2-methyl-3-[[1-[4-(2-methylpropyl)phenyl]ethylamino]methyl]oxolan-3-ol
CID 107270585
2-methyl-3-[[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]oxolan-3-ol
CID 106102331
3-[[1-(3-fluorophenyl)ethylamino]methyl]-2-methyloxolan-3-ol
CID 107270703
2-methyl-1-[1-(1-methylimidazol-2-yl)ethylamino]propan-2-ol
CID 65104045
2,2-difluoro-3-[1-(1-methylimidazol-2-yl)ethylamino]propan-1-ol
CID 104860530
2-methyl-3-[1-(1-methylimidazol-2-yl)ethylamino]propane-1,2-diol
CID 66169614
4-[1-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]ethyl]benzenesulfonamide
CID 107270686
3,3-dimethyl-4-[1-(1-methylimidazol-2-yl)ethylamino]butan-1-ol
CID 115901187

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[1-(1-methylimidazol-2-yl)ethylamino]methyl]oxolan-3-ol?
The IUPAC name of 2-methyl-3-[[1-(1-methylimidazol-2-yl)ethylamino]methyl]oxolan-3-ol (CID 107270667) is 2-methyl-3-[[1-(1-methylimidazol-2-yl)ethylamino]methyl]oxolan-3-ol.
What is the SMILES notation for 2-methyl-3-[[1-(1-methylimidazol-2-yl)ethylamino]methyl]oxolan-3-ol?
The canonical SMILES for 2-methyl-3-[[1-(1-methylimidazol-2-yl)ethylamino]methyl]oxolan-3-ol is CC(NCC1(O)CCOC1C)c1nccn1C.
What is the InChIKey of 2-methyl-3-[[1-(1-methylimidazol-2-yl)ethylamino]methyl]oxolan-3-ol?
The InChIKey is SBBLMVSGWXVKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-9(11-13-5-6-15(11)3)14-8-12(16)4-7-17-10(12)2/h5-6,9-10,14,16H,4,7-8H2,1-3H3.
What are the key properties of 2-methyl-3-[[1-(1-methylimidazol-2-yl)ethylamino]methyl]oxolan-3-ol?
2-methyl-3-[[1-(1-methylimidazol-2-yl)ethylamino]methyl]oxolan-3-ol has a molecular weight of 239.32 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[1-(1-methylimidazol-2-yl)ethylamino]methyl]oxolan-3-ol is sourced from PubChem (CID 107270667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).