2-amino-1-(3-cyclobutylimidazol-4-yl)ethanol

C9H15N3O — CID 83875789

IUPAC2-amino-1-(3-cyclobutylimidazol-4-yl)ethanol
SMILESNCC(O)c1cncn1C1CCC1
InChIInChI=1S/C9H15N3O/c10-4-9(13)8-5-11-6-12(8)7-2-1-3-7/h5-7,9,13H,1-4,10H2
InChIKeyCOYXGJGVWLCNAV-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.60
Rot. Bonds3

About 2-amino-1-(3-cyclobutylimidazol-4-yl)ethanol

2-amino-1-(3-cyclobutylimidazol-4-yl)ethanol (PubChem CID 83875789) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-amino-1-(3-cyclobutylimidazol-4-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(3-cyclobutylimidazol-4-yl)ethanol
PubChem CID83875789
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-amino-1-(3-cyclobutylimidazol-4-yl)ethanol
SMILESNCC(O)c1cncn1C1CCC1
InChIInChI=1S/C9H15N3O/c10-4-9(13)8-5-11-6-12(8)7-2-1-3-7/h5-7,9,13H,1-4,10H2
InChIKeyCOYXGJGVWLCNAV-UHFFFAOYSA-N
XLogP0.60
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-cyclobutylimidazol-4-yl)ethanol?
The IUPAC name of 2-amino-1-(3-cyclobutylimidazol-4-yl)ethanol (CID 83875789) is 2-amino-1-(3-cyclobutylimidazol-4-yl)ethanol.
What is the SMILES notation for 2-amino-1-(3-cyclobutylimidazol-4-yl)ethanol?
The canonical SMILES for 2-amino-1-(3-cyclobutylimidazol-4-yl)ethanol is NCC(O)c1cncn1C1CCC1.
What is the InChIKey of 2-amino-1-(3-cyclobutylimidazol-4-yl)ethanol?
The InChIKey is COYXGJGVWLCNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c10-4-9(13)8-5-11-6-12(8)7-2-1-3-7/h5-7,9,13H,1-4,10H2.
What are the key properties of 2-amino-1-(3-cyclobutylimidazol-4-yl)ethanol?
2-amino-1-(3-cyclobutylimidazol-4-yl)ethanol has a molecular weight of 181.24 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-cyclobutylimidazol-4-yl)ethanol is sourced from PubChem (CID 83875789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).