1-(3-hydroxy-2,5-dimethylimidazol-4-yl)-N,N-dimethylmethanamine

C8H15N3O — CID 23332852

IUPAC1-(3-hydroxy-2,5-dimethylimidazol-4-yl)-N,N-dimethylmethanamine
SMILESCc1nc(C)n(O)c1CN(C)C
InChIInChI=1S/C8H15N3O/c1-6-8(5-10(3)4)11(12)7(2)9-6/h12H,5H2,1-4H3
InChIKeyNGTKJAKVHDHVFU-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.80
Rot. Bonds2

About 1-(3-hydroxy-2,5-dimethylimidazol-4-yl)-N,N-dimethylmethanamine

1-(3-hydroxy-2,5-dimethylimidazol-4-yl)-N,N-dimethylmethanamine (PubChem CID 23332852) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 1-(3-hydroxy-2,5-dimethylimidazol-4-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(3-hydroxy-2,5-dimethylimidazol-4-yl)-N,N-dimethylmethanamine
PubChem CID23332852
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name1-(3-hydroxy-2,5-dimethylimidazol-4-yl)-N,N-dimethylmethanamine
SMILESCc1nc(C)n(O)c1CN(C)C
InChIInChI=1S/C8H15N3O/c1-6-8(5-10(3)4)11(12)7(2)9-6/h12H,5H2,1-4H3
InChIKeyNGTKJAKVHDHVFU-UHFFFAOYSA-N
XLogP0.80
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,4,5-Trimethyl-1H-imidazol-1-OL
CID 3271952
1-Ethyl trimethylimidazole
CID 24871657
5-Hydroxy-3-methyl-2-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118613806
5-Hydroxy-2-methyl-3-(2,2,2-trifluoroethyl)-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118613867
2-(Difluoromethyl)-3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118614117
1-Hydroxy-4,5-dimethyl-3-oxido-2-propylimidazol-3-ium
CID 328606
1-Hydroxy-4,5-dimethyl-2-propylimidazole
CID 20291419
2-Butyl-1-hydroxy-4,5-dimethylimidazole
CID 21524490
2-Ethyl-1-hydroxy-4,5-dimethylimidazole
CID 21524492
1-Hydroxy-4,5-dimethyl-2-propan-2-ylimidazole
CID 21524523
1-Hydroxy-4,5-dimethyl-2-(2-methylpropyl)imidazole
CID 21524544
1-Butyl-2,4,5-trimethylimidazole
CID 21692398

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-2,5-dimethylimidazol-4-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(3-hydroxy-2,5-dimethylimidazol-4-yl)-N,N-dimethylmethanamine (CID 23332852) is 1-(3-hydroxy-2,5-dimethylimidazol-4-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(3-hydroxy-2,5-dimethylimidazol-4-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(3-hydroxy-2,5-dimethylimidazol-4-yl)-N,N-dimethylmethanamine is Cc1nc(C)n(O)c1CN(C)C.
What is the InChIKey of 1-(3-hydroxy-2,5-dimethylimidazol-4-yl)-N,N-dimethylmethanamine?
The InChIKey is NGTKJAKVHDHVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-6-8(5-10(3)4)11(12)7(2)9-6/h12H,5H2,1-4H3.
What are the key properties of 1-(3-hydroxy-2,5-dimethylimidazol-4-yl)-N,N-dimethylmethanamine?
1-(3-hydroxy-2,5-dimethylimidazol-4-yl)-N,N-dimethylmethanamine has a molecular weight of 169.23 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-2,5-dimethylimidazol-4-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 23332852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).