N-[(1-methylimidazol-2-yl)methyl]-1-(oxolan-3-yl)ethanamine

C11H19N3O — CID 115655247

IUPACN-[(1-methylimidazol-2-yl)methyl]-1-(oxolan-3-yl)ethanamine
SMILESCC(NCc1nccn1C)C1CCOC1
InChIInChI=1S/C11H19N3O/c1-9(10-3-6-15-8-10)13-7-11-12-4-5-14(11)2/h4-5,9-10,13H,3,6-8H2,1-2H3
InChIKeyGZILXRUYYWVIJI-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.93
Rot. Bonds4

About N-[(1-methylimidazol-2-yl)methyl]-1-(oxolan-3-yl)ethanamine

N-[(1-methylimidazol-2-yl)methyl]-1-(oxolan-3-yl)ethanamine (PubChem CID 115655247) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-1-(oxolan-3-yl)ethanamine
PubChem CID115655247
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-1-(oxolan-3-yl)ethanamine
SMILESCC(NCc1nccn1C)C1CCOC1
InChIInChI=1S/C11H19N3O/c1-9(10-3-6-15-8-10)13-7-11-12-4-5-14(11)2/h4-5,9-10,13H,3,6-8H2,1-2H3
InChIKeyGZILXRUYYWVIJI-UHFFFAOYSA-N
XLogP0.93
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-cyclopentyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 81386227
N-[(1-methylimidazol-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 63292117
N-[(3-methylimidazol-4-yl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655308
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(oxolan-3-yl)ethanamine
CID 103777540
1-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 64918015
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115684441
1-(oxolan-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 115714244
1-(oxolan-3-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine
CID 75483307
3-(1-methylimidazol-2-yl)-1-(oxan-4-yl)-N-propylpropan-1-amine
CID 114530301
N-[(2-methoxy-3-pyridinyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 113260159
1-(oxolan-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine
CID 103700538
N-[(4-chlorophenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655135

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-1-(oxolan-3-yl)ethanamine?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-1-(oxolan-3-yl)ethanamine (CID 115655247) is N-[(1-methylimidazol-2-yl)methyl]-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-1-(oxolan-3-yl)ethanamine is CC(NCc1nccn1C)C1CCOC1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-1-(oxolan-3-yl)ethanamine?
The InChIKey is GZILXRUYYWVIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9(10-3-6-15-8-10)13-7-11-12-4-5-14(11)2/h4-5,9-10,13H,3,6-8H2,1-2H3.
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-1-(oxolan-3-yl)ethanamine?
N-[(1-methylimidazol-2-yl)methyl]-1-(oxolan-3-yl)ethanamine has a molecular weight of 209.29 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 115655247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).