1,3-dicyclohexyl-1-oxidoimidazolidin-1-ium-4,5-diol

C15H28N2O3 — CID 88767744

IUPAC1,3-dicyclohexyl-1-oxidoimidazolidin-1-ium-4,5-diol
SMILES[O-][N+]1(C2CCCCC2)CN(C2CCCCC2)C(O)C1O
InChIInChI=1S/C15H28N2O3/c18-14-15(19)17(20,13-9-5-2-6-10-13)11-16(14)12-7-3-1-4-8-12/h12-15,18-19H,1-11H2
InChIKeyLZDRCDVBKQJNOA-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.88
Rot. Bonds2

About 1,3-dicyclohexyl-1-oxidoimidazolidin-1-ium-4,5-diol

1,3-dicyclohexyl-1-oxidoimidazolidin-1-ium-4,5-diol (PubChem CID 88767744) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1,3-dicyclohexyl-1-oxidoimidazolidin-1-ium-4,5-diol.

Molecular Properties

Compound Name1,3-dicyclohexyl-1-oxidoimidazolidin-1-ium-4,5-diol
PubChem CID88767744
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name1,3-dicyclohexyl-1-oxidoimidazolidin-1-ium-4,5-diol
SMILES[O-][N+]1(C2CCCCC2)CN(C2CCCCC2)C(O)C1O
InChIInChI=1S/C15H28N2O3/c18-14-15(19)17(20,13-9-5-2-6-10-13)11-16(14)12-7-3-1-4-8-12/h12-15,18-19H,1-11H2
InChIKeyLZDRCDVBKQJNOA-UHFFFAOYSA-N
XLogP1.88
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dicyclohexyl-1-oxidoimidazolidin-1-ium-4,5-diol?
The IUPAC name of 1,3-dicyclohexyl-1-oxidoimidazolidin-1-ium-4,5-diol (CID 88767744) is 1,3-dicyclohexyl-1-oxidoimidazolidin-1-ium-4,5-diol.
What is the SMILES notation for 1,3-dicyclohexyl-1-oxidoimidazolidin-1-ium-4,5-diol?
The canonical SMILES for 1,3-dicyclohexyl-1-oxidoimidazolidin-1-ium-4,5-diol is [O-][N+]1(C2CCCCC2)CN(C2CCCCC2)C(O)C1O.
What is the InChIKey of 1,3-dicyclohexyl-1-oxidoimidazolidin-1-ium-4,5-diol?
The InChIKey is LZDRCDVBKQJNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c18-14-15(19)17(20,13-9-5-2-6-10-13)11-16(14)12-7-3-1-4-8-12/h12-15,18-19H,1-11H2.
What are the key properties of 1,3-dicyclohexyl-1-oxidoimidazolidin-1-ium-4,5-diol?
1,3-dicyclohexyl-1-oxidoimidazolidin-1-ium-4,5-diol has a molecular weight of 284.40 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dicyclohexyl-1-oxidoimidazolidin-1-ium-4,5-diol is sourced from PubChem (CID 88767744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).