2-imidazolidin-1-ylpropan-2-ol

C6H14N2O — CID 89013408

IUPAC2-imidazolidin-1-ylpropan-2-ol
SMILESCC(C)(O)N1CCNC1
InChIInChI=1S/C6H14N2O/c1-6(2,9)8-4-3-7-5-8/h7,9H,3-5H2,1-2H3
InChIKeyOUTZWRVYAZBKLZ-UHFFFAOYSA-N
MW130.19 g/mol
LogP-0.42
Rot. Bonds1

About 2-imidazolidin-1-ylpropan-2-ol

2-imidazolidin-1-ylpropan-2-ol (PubChem CID 89013408) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is 2-imidazolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name2-imidazolidin-1-ylpropan-2-ol
PubChem CID89013408
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name2-imidazolidin-1-ylpropan-2-ol
SMILESCC(C)(O)N1CCNC1
InChIInChI=1S/C6H14N2O/c1-6(2,9)8-4-3-7-5-8/h7,9H,3-5H2,1-2H3
InChIKeyOUTZWRVYAZBKLZ-UHFFFAOYSA-N
XLogP-0.42
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-imidazolidin-1-ylpropan-2-ol?
The IUPAC name of 2-imidazolidin-1-ylpropan-2-ol (CID 89013408) is 2-imidazolidin-1-ylpropan-2-ol.
What is the SMILES notation for 2-imidazolidin-1-ylpropan-2-ol?
The canonical SMILES for 2-imidazolidin-1-ylpropan-2-ol is CC(C)(O)N1CCNC1.
What is the InChIKey of 2-imidazolidin-1-ylpropan-2-ol?
The InChIKey is OUTZWRVYAZBKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c1-6(2,9)8-4-3-7-5-8/h7,9H,3-5H2,1-2H3.
What are the key properties of 2-imidazolidin-1-ylpropan-2-ol?
2-imidazolidin-1-ylpropan-2-ol has a molecular weight of 130.19 g/mol, XLogP of -0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazolidin-1-ylpropan-2-ol is sourced from PubChem (CID 89013408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).