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

C12H20N2O2 — CID 107268488

IUPAC2-methyl-3-[[(1-methylpyrrol-2-yl)methylamino]methyl]oxolan-3-ol
SMILESCC1OCCC1(O)CNCc1cccn1C
InChIInChI=1S/C12H20N2O2/c1-10-12(15,5-7-16-10)9-13-8-11-4-3-6-14(11)2/h3-4,6,10,13,15H,5,7-9H2,1-2H3
InChIKeyLKWGNPHNOMXDGV-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.65
Rot. Bonds4

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

2-methyl-3-[[(1-methylpyrrol-2-yl)methylamino]methyl]oxolan-3-ol (PubChem CID 107268488) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-methyl-3-[[(1-methylpyrrol-2-yl)methylamino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name2-methyl-3-[[(1-methylpyrrol-2-yl)methylamino]methyl]oxolan-3-ol
PubChem CID107268488
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-methyl-3-[[(1-methylpyrrol-2-yl)methylamino]methyl]oxolan-3-ol
SMILESCC1OCCC1(O)CNCc1cccn1C
InChIInChI=1S/C12H20N2O2/c1-10-12(15,5-7-16-10)9-13-8-11-4-3-6-14(11)2/h3-4,6,10,13,15H,5,7-9H2,1-2H3
InChIKeyLKWGNPHNOMXDGV-UHFFFAOYSA-N
XLogP0.65
TPSA46.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[[(2-methylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol
CID 107268404
(2S,3R)-3-[(benzylamino)methyl]-2-methyloxolan-3-ol
CID 98041266
2-methyl-3-[[(1-methylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol
CID 107268345
2-methyl-3-[[(2-propylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol
CID 106100232
3-[[(5-ethylthiophen-2-yl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107268149
2-methyl-3-[[(3-propan-2-ylimidazol-4-yl)methylamino]methyl]oxolan-3-ol
CID 106100251
4-ethyl-1-[[(1-methylpyrrol-2-yl)methylamino]methyl]cyclohexan-1-ol
CID 65116465
2-methyl-3-[[[4-(trifluoromethoxy)phenyl]methylamino]methyl]oxolan-3-ol
CID 107268326
2-methyl-3-[(quinoxalin-2-ylmethylamino)methyl]oxolan-3-ol
CID 106100262
3-[[(4-hydroxy-3,5-dimethylphenyl)methylamino]methyl]-2-methyloxolan-3-ol
CID 106100120
3-[[(5-bromo-2-pyridinyl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107268416
3-[[(2-hydroxy-3-methoxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107268212

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[(1-methylpyrrol-2-yl)methylamino]methyl]oxolan-3-ol?
The IUPAC name of 2-methyl-3-[[(1-methylpyrrol-2-yl)methylamino]methyl]oxolan-3-ol (CID 107268488) is 2-methyl-3-[[(1-methylpyrrol-2-yl)methylamino]methyl]oxolan-3-ol.
What is the SMILES notation for 2-methyl-3-[[(1-methylpyrrol-2-yl)methylamino]methyl]oxolan-3-ol?
The canonical SMILES for 2-methyl-3-[[(1-methylpyrrol-2-yl)methylamino]methyl]oxolan-3-ol is CC1OCCC1(O)CNCc1cccn1C.
What is the InChIKey of 2-methyl-3-[[(1-methylpyrrol-2-yl)methylamino]methyl]oxolan-3-ol?
The InChIKey is LKWGNPHNOMXDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-10-12(15,5-7-16-10)9-13-8-11-4-3-6-14(11)2/h3-4,6,10,13,15H,5,7-9H2,1-2H3.
What are the key properties of 2-methyl-3-[[(1-methylpyrrol-2-yl)methylamino]methyl]oxolan-3-ol?
2-methyl-3-[[(1-methylpyrrol-2-yl)methylamino]methyl]oxolan-3-ol has a molecular weight of 224.30 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[(1-methylpyrrol-2-yl)methylamino]methyl]oxolan-3-ol is sourced from PubChem (CID 107268488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).