1-(1,5-dimethylimidazol-4-yl)-2-(methylamino)ethanol

C8H15N3O — CID 84653517

IUPAC1-(1,5-dimethylimidazol-4-yl)-2-(methylamino)ethanol
SMILESCNCC(O)c1ncn(C)c1C
InChIInChI=1S/C8H15N3O/c1-6-8(7(12)4-9-2)10-5-11(6)3/h5,7,9,12H,4H2,1-3H3
InChIKeyXDXKVUDLHWLHPZ-UHFFFAOYSA-N
MW169.23 g/mol
LogP-0.02
Rot. Bonds3

About 1-(1,5-dimethylimidazol-4-yl)-2-(methylamino)ethanol

1-(1,5-dimethylimidazol-4-yl)-2-(methylamino)ethanol (PubChem CID 84653517) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 1-(1,5-dimethylimidazol-4-yl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-(1,5-dimethylimidazol-4-yl)-2-(methylamino)ethanol
PubChem CID84653517
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name1-(1,5-dimethylimidazol-4-yl)-2-(methylamino)ethanol
SMILESCNCC(O)c1ncn(C)c1C
InChIInChI=1S/C8H15N3O/c1-6-8(7(12)4-9-2)10-5-11(6)3/h5,7,9,12H,4H2,1-3H3
InChIKeyXDXKVUDLHWLHPZ-UHFFFAOYSA-N
XLogP-0.02
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylimidazol-4-yl)-2-(methylamino)ethanol?
The IUPAC name of 1-(1,5-dimethylimidazol-4-yl)-2-(methylamino)ethanol (CID 84653517) is 1-(1,5-dimethylimidazol-4-yl)-2-(methylamino)ethanol.
What is the SMILES notation for 1-(1,5-dimethylimidazol-4-yl)-2-(methylamino)ethanol?
The canonical SMILES for 1-(1,5-dimethylimidazol-4-yl)-2-(methylamino)ethanol is CNCC(O)c1ncn(C)c1C.
What is the InChIKey of 1-(1,5-dimethylimidazol-4-yl)-2-(methylamino)ethanol?
The InChIKey is XDXKVUDLHWLHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-6-8(7(12)4-9-2)10-5-11(6)3/h5,7,9,12H,4H2,1-3H3.
What are the key properties of 1-(1,5-dimethylimidazol-4-yl)-2-(methylamino)ethanol?
1-(1,5-dimethylimidazol-4-yl)-2-(methylamino)ethanol has a molecular weight of 169.23 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylimidazol-4-yl)-2-(methylamino)ethanol is sourced from PubChem (CID 84653517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).