1-[1-(3-aminopropyl)imidazol-2-yl]ethanol

C8H15N3O — CID 18722233

IUPAC1-[1-(3-aminopropyl)imidazol-2-yl]ethanol
SMILESCC(O)c1nccn1CCCN
InChIInChI=1S/C8H15N3O/c1-7(12)8-10-4-6-11(8)5-2-3-9/h4,6-7,12H,2-3,5,9H2,1H3
InChIKeyOWNAAGBFASRUMC-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.29
Rot. Bonds4

About 1-[1-(3-aminopropyl)imidazol-2-yl]ethanol

1-[1-(3-aminopropyl)imidazol-2-yl]ethanol (PubChem CID 18722233) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 1-[1-(3-aminopropyl)imidazol-2-yl]ethanol.

Molecular Properties

Compound Name1-[1-(3-aminopropyl)imidazol-2-yl]ethanol
PubChem CID18722233
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name1-[1-(3-aminopropyl)imidazol-2-yl]ethanol
SMILESCC(O)c1nccn1CCCN
InChIInChI=1S/C8H15N3O/c1-7(12)8-10-4-6-11(8)5-2-3-9/h4,6-7,12H,2-3,5,9H2,1H3
InChIKeyOWNAAGBFASRUMC-UHFFFAOYSA-N
XLogP0.29
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-aminopropyl)imidazol-2-yl]ethanol?
The IUPAC name of 1-[1-(3-aminopropyl)imidazol-2-yl]ethanol (CID 18722233) is 1-[1-(3-aminopropyl)imidazol-2-yl]ethanol.
What is the SMILES notation for 1-[1-(3-aminopropyl)imidazol-2-yl]ethanol?
The canonical SMILES for 1-[1-(3-aminopropyl)imidazol-2-yl]ethanol is CC(O)c1nccn1CCCN.
What is the InChIKey of 1-[1-(3-aminopropyl)imidazol-2-yl]ethanol?
The InChIKey is OWNAAGBFASRUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-7(12)8-10-4-6-11(8)5-2-3-9/h4,6-7,12H,2-3,5,9H2,1H3.
What are the key properties of 1-[1-(3-aminopropyl)imidazol-2-yl]ethanol?
1-[1-(3-aminopropyl)imidazol-2-yl]ethanol has a molecular weight of 169.23 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-aminopropyl)imidazol-2-yl]ethanol is sourced from PubChem (CID 18722233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).