1-(4,5-dimethylimidazol-1-yl)-3-(methylamino)propan-2-ol

C9H17N3O — CID 62351984

IUPAC1-(4,5-dimethylimidazol-1-yl)-3-(methylamino)propan-2-ol
SMILESCNCC(O)Cn1cnc(C)c1C
InChIInChI=1S/C9H17N3O/c1-7-8(2)12(6-11-7)5-9(13)4-10-3/h6,9-10,13H,4-5H2,1-3H3
InChIKeyGWJIQXWMXXHWGU-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.08
Rot. Bonds4

About 1-(4,5-dimethylimidazol-1-yl)-3-(methylamino)propan-2-ol

1-(4,5-dimethylimidazol-1-yl)-3-(methylamino)propan-2-ol (PubChem CID 62351984) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-(4,5-dimethylimidazol-1-yl)-3-(methylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4,5-dimethylimidazol-1-yl)-3-(methylamino)propan-2-ol
PubChem CID62351984
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name1-(4,5-dimethylimidazol-1-yl)-3-(methylamino)propan-2-ol
SMILESCNCC(O)Cn1cnc(C)c1C
InChIInChI=1S/C9H17N3O/c1-7-8(2)12(6-11-7)5-9(13)4-10-3/h6,9-10,13H,4-5H2,1-3H3
InChIKeyGWJIQXWMXXHWGU-UHFFFAOYSA-N
XLogP0.08
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethylimidazol-1-yl)-3-(methylamino)propan-2-ol?
The IUPAC name of 1-(4,5-dimethylimidazol-1-yl)-3-(methylamino)propan-2-ol (CID 62351984) is 1-(4,5-dimethylimidazol-1-yl)-3-(methylamino)propan-2-ol.
What is the SMILES notation for 1-(4,5-dimethylimidazol-1-yl)-3-(methylamino)propan-2-ol?
The canonical SMILES for 1-(4,5-dimethylimidazol-1-yl)-3-(methylamino)propan-2-ol is CNCC(O)Cn1cnc(C)c1C.
What is the InChIKey of 1-(4,5-dimethylimidazol-1-yl)-3-(methylamino)propan-2-ol?
The InChIKey is GWJIQXWMXXHWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-7-8(2)12(6-11-7)5-9(13)4-10-3/h6,9-10,13H,4-5H2,1-3H3.
What are the key properties of 1-(4,5-dimethylimidazol-1-yl)-3-(methylamino)propan-2-ol?
1-(4,5-dimethylimidazol-1-yl)-3-(methylamino)propan-2-ol has a molecular weight of 183.25 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethylimidazol-1-yl)-3-(methylamino)propan-2-ol is sourced from PubChem (CID 62351984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).