2-(1-adamantyl)-1-hydroxyguanidine

C11H19N3O — CID 62483921

IUPAC2-(1-adamantyl)-1-hydroxyguanidine
SMILESN/C(=N\C12CC3CC(CC(C3)C1)C2)NO
InChIInChI=1S/C11H19N3O/c12-10(14-15)13-11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9,15H,1-6H2,(H3,12,13,14)
InChIKeyKWJHEURSVFQKES-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.25
Rot. Bonds1

About 2-(1-adamantyl)-1-hydroxyguanidine

2-(1-adamantyl)-1-hydroxyguanidine (PubChem CID 62483921) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(1-adamantyl)-1-hydroxyguanidine.

Molecular Properties

Compound Name2-(1-adamantyl)-1-hydroxyguanidine
PubChem CID62483921
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-(1-adamantyl)-1-hydroxyguanidine
SMILESN/C(=N\C12CC3CC(CC(C3)C1)C2)NO
InChIInChI=1S/C11H19N3O/c12-10(14-15)13-11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9,15H,1-6H2,(H3,12,13,14)
InChIKeyKWJHEURSVFQKES-UHFFFAOYSA-N
XLogP1.25
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-1-hydroxyguanidine?
The IUPAC name of 2-(1-adamantyl)-1-hydroxyguanidine (CID 62483921) is 2-(1-adamantyl)-1-hydroxyguanidine.
What is the SMILES notation for 2-(1-adamantyl)-1-hydroxyguanidine?
The canonical SMILES for 2-(1-adamantyl)-1-hydroxyguanidine is N/C(=N\C12CC3CC(CC(C3)C1)C2)NO.
What is the InChIKey of 2-(1-adamantyl)-1-hydroxyguanidine?
The InChIKey is KWJHEURSVFQKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c12-10(14-15)13-11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9,15H,1-6H2,(H3,12,13,14).
What are the key properties of 2-(1-adamantyl)-1-hydroxyguanidine?
2-(1-adamantyl)-1-hydroxyguanidine has a molecular weight of 209.29 g/mol, XLogP of 1.25, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-1-hydroxyguanidine is sourced from PubChem (CID 62483921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).