2-[2-amino-1-(3-propan-2-ylimidazol-4-yl)ethoxy]ethanol

C10H19N3O2 — CID 103376876

IUPAC2-[2-amino-1-(3-propan-2-ylimidazol-4-yl)ethoxy]ethanol
SMILESCC(C)n1cncc1C(CN)OCCO
InChIInChI=1S/C10H19N3O2/c1-8(2)13-7-12-6-9(13)10(5-11)15-4-3-14/h6-8,10,14H,3-5,11H2,1-2H3
InChIKeyPYSKKEVXPYQWNI-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.47
Rot. Bonds6

About 2-[2-amino-1-(3-propan-2-ylimidazol-4-yl)ethoxy]ethanol

2-[2-amino-1-(3-propan-2-ylimidazol-4-yl)ethoxy]ethanol (PubChem CID 103376876) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[2-amino-1-(3-propan-2-ylimidazol-4-yl)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-amino-1-(3-propan-2-ylimidazol-4-yl)ethoxy]ethanol
PubChem CID103376876
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name2-[2-amino-1-(3-propan-2-ylimidazol-4-yl)ethoxy]ethanol
SMILESCC(C)n1cncc1C(CN)OCCO
InChIInChI=1S/C10H19N3O2/c1-8(2)13-7-12-6-9(13)10(5-11)15-4-3-14/h6-8,10,14H,3-5,11H2,1-2H3
InChIKeyPYSKKEVXPYQWNI-UHFFFAOYSA-N
XLogP0.47
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-1-(3-propan-2-ylimidazol-4-yl)ethoxy]ethanol?
The IUPAC name of 2-[2-amino-1-(3-propan-2-ylimidazol-4-yl)ethoxy]ethanol (CID 103376876) is 2-[2-amino-1-(3-propan-2-ylimidazol-4-yl)ethoxy]ethanol.
What is the SMILES notation for 2-[2-amino-1-(3-propan-2-ylimidazol-4-yl)ethoxy]ethanol?
The canonical SMILES for 2-[2-amino-1-(3-propan-2-ylimidazol-4-yl)ethoxy]ethanol is CC(C)n1cncc1C(CN)OCCO.
What is the InChIKey of 2-[2-amino-1-(3-propan-2-ylimidazol-4-yl)ethoxy]ethanol?
The InChIKey is PYSKKEVXPYQWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-8(2)13-7-12-6-9(13)10(5-11)15-4-3-14/h6-8,10,14H,3-5,11H2,1-2H3.
What are the key properties of 2-[2-amino-1-(3-propan-2-ylimidazol-4-yl)ethoxy]ethanol?
2-[2-amino-1-(3-propan-2-ylimidazol-4-yl)ethoxy]ethanol has a molecular weight of 213.28 g/mol, XLogP of 0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-1-(3-propan-2-ylimidazol-4-yl)ethoxy]ethanol is sourced from PubChem (CID 103376876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).