2-(methylamino)-2-(3-methylimidazol-4-yl)ethanol

C7H13N3O — CID 66117358

IUPAC2-(methylamino)-2-(3-methylimidazol-4-yl)ethanol
SMILESCNC(CO)c1cncn1C
InChIInChI=1S/C7H13N3O/c1-8-6(4-11)7-3-9-5-10(7)2/h3,5-6,8,11H,4H2,1-2H3
InChIKeyUXMIZIDDEVVSFZ-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.33
Rot. Bonds3

About 2-(methylamino)-2-(3-methylimidazol-4-yl)ethanol

2-(methylamino)-2-(3-methylimidazol-4-yl)ethanol (PubChem CID 66117358) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-(methylamino)-2-(3-methylimidazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(methylamino)-2-(3-methylimidazol-4-yl)ethanol
PubChem CID66117358
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name2-(methylamino)-2-(3-methylimidazol-4-yl)ethanol
SMILESCNC(CO)c1cncn1C
InChIInChI=1S/C7H13N3O/c1-8-6(4-11)7-3-9-5-10(7)2/h3,5-6,8,11H,4H2,1-2H3
InChIKeyUXMIZIDDEVVSFZ-UHFFFAOYSA-N
XLogP-0.33
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(3-methylimidazol-4-yl)propan-1-amine
CID 82903287
3-(methylamino)-3-(3-methylimidazol-4-yl)propanoic acid
CID 66117786
N-methyl-1-(3-methylimidazol-4-yl)decan-1-amine
CID 82902583
N-methyl-1-(3-methylimidazol-4-yl)pent-4-yn-1-amine
CID 82903143
2-(4-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)ethanamine
CID 82903436
N'-methyl-1-(3-methylimidazol-4-yl)methanediamine
CID 170132985
ethane;N-methyl-1-(3-methylimidazol-4-yl)ethanamine
CID 143252273
2-(2-bromophenyl)-N-methyl-1-(3-methylimidazol-4-yl)ethanamine
CID 82901988
N,2-dimethyl-1-(3-methylimidazol-4-yl)prop-2-en-1-amine
CID 82896240
[4-methyl-1-(3-methylimidazol-4-yl)pentyl]hydrazine
CID 105264513
[2-methoxy-1-(3-methylimidazol-4-yl)ethyl]hydrazine
CID 105264754
N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(3-methylimidazol-4-yl)ethanamine
CID 82896332

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-2-(3-methylimidazol-4-yl)ethanol?
The IUPAC name of 2-(methylamino)-2-(3-methylimidazol-4-yl)ethanol (CID 66117358) is 2-(methylamino)-2-(3-methylimidazol-4-yl)ethanol.
What is the SMILES notation for 2-(methylamino)-2-(3-methylimidazol-4-yl)ethanol?
The canonical SMILES for 2-(methylamino)-2-(3-methylimidazol-4-yl)ethanol is CNC(CO)c1cncn1C.
What is the InChIKey of 2-(methylamino)-2-(3-methylimidazol-4-yl)ethanol?
The InChIKey is UXMIZIDDEVVSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-8-6(4-11)7-3-9-5-10(7)2/h3,5-6,8,11H,4H2,1-2H3.
What are the key properties of 2-(methylamino)-2-(3-methylimidazol-4-yl)ethanol?
2-(methylamino)-2-(3-methylimidazol-4-yl)ethanol has a molecular weight of 155.20 g/mol, XLogP of -0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-2-(3-methylimidazol-4-yl)ethanol is sourced from PubChem (CID 66117358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).