2-amino-2-(3-tert-butylimidazol-4-yl)ethanol

C9H17N3O — CID 83876291

IUPAC2-amino-2-(3-tert-butylimidazol-4-yl)ethanol
SMILESCC(C)(C)n1cncc1C(N)CO
InChIInChI=1S/C9H17N3O/c1-9(2,3)12-6-11-4-8(12)7(10)5-13/h4,6-7,13H,5,10H2,1-3H3
InChIKeyBZECVJJNMMZNCN-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.63
Rot. Bonds2

About 2-amino-2-(3-tert-butylimidazol-4-yl)ethanol

2-amino-2-(3-tert-butylimidazol-4-yl)ethanol (PubChem CID 83876291) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-amino-2-(3-tert-butylimidazol-4-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(3-tert-butylimidazol-4-yl)ethanol
PubChem CID83876291
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name2-amino-2-(3-tert-butylimidazol-4-yl)ethanol
SMILESCC(C)(C)n1cncc1C(N)CO
InChIInChI=1S/C9H17N3O/c1-9(2,3)12-6-11-4-8(12)7(10)5-13/h4,6-7,13H,5,10H2,1-3H3
InChIKeyBZECVJJNMMZNCN-UHFFFAOYSA-N
XLogP0.63
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-tert-butylimidazol-4-yl)ethanol?
The IUPAC name of 2-amino-2-(3-tert-butylimidazol-4-yl)ethanol (CID 83876291) is 2-amino-2-(3-tert-butylimidazol-4-yl)ethanol.
What is the SMILES notation for 2-amino-2-(3-tert-butylimidazol-4-yl)ethanol?
The canonical SMILES for 2-amino-2-(3-tert-butylimidazol-4-yl)ethanol is CC(C)(C)n1cncc1C(N)CO.
What is the InChIKey of 2-amino-2-(3-tert-butylimidazol-4-yl)ethanol?
The InChIKey is BZECVJJNMMZNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-9(2,3)12-6-11-4-8(12)7(10)5-13/h4,6-7,13H,5,10H2,1-3H3.
What are the key properties of 2-amino-2-(3-tert-butylimidazol-4-yl)ethanol?
2-amino-2-(3-tert-butylimidazol-4-yl)ethanol has a molecular weight of 183.25 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-tert-butylimidazol-4-yl)ethanol is sourced from PubChem (CID 83876291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).