1-[(5-hydroxy-2-adamantylidene)amino]guanidine

C11H18N4O — CID 176539531

IUPAC1-[(5-hydroxy-2-adamantylidene)amino]guanidine
SMILES[H]/N=C(\N)NN=C1C2CC3CC1CC(O)(C3)C2
InChIInChI=1S/C11H18N4O/c12-10(13)15-14-9-7-1-6-2-8(9)5-11(16,3-6)4-7/h6-8,16H,1-5H2,(H4,12,13,15)/b14-9-
InChIKeyXWKFUJIBCBJVIR-ZROIWOOFSA-N
MW222.29 g/mol
LogP0.40
Rot. Bonds1

About 1-[(5-hydroxy-2-adamantylidene)amino]guanidine

1-[(5-hydroxy-2-adamantylidene)amino]guanidine (PubChem CID 176539531) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-[(5-hydroxy-2-adamantylidene)amino]guanidine.

Molecular Properties

Compound Name1-[(5-hydroxy-2-adamantylidene)amino]guanidine
PubChem CID176539531
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name1-[(5-hydroxy-2-adamantylidene)amino]guanidine
SMILES[H]/N=C(\N)NN=C1C2CC3CC1CC(O)(C3)C2
InChIInChI=1S/C11H18N4O/c12-10(13)15-14-9-7-1-6-2-8(9)5-11(16,3-6)4-7/h6-8,16H,1-5H2,(H4,12,13,15)/b14-9-
InChIKeyXWKFUJIBCBJVIR-ZROIWOOFSA-N
XLogP0.40
TPSA94.49 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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 1-[(5-hydroxy-2-adamantylidene)amino]guanidine?
The IUPAC name of 1-[(5-hydroxy-2-adamantylidene)amino]guanidine (CID 176539531) is 1-[(5-hydroxy-2-adamantylidene)amino]guanidine.
What is the SMILES notation for 1-[(5-hydroxy-2-adamantylidene)amino]guanidine?
The canonical SMILES for 1-[(5-hydroxy-2-adamantylidene)amino]guanidine is [H]/N=C(\N)NN=C1C2CC3CC1CC(O)(C3)C2.
What is the InChIKey of 1-[(5-hydroxy-2-adamantylidene)amino]guanidine?
The InChIKey is XWKFUJIBCBJVIR-ZROIWOOFSA-N. The full InChI is InChI=1S/C11H18N4O/c12-10(13)15-14-9-7-1-6-2-8(9)5-11(16,3-6)4-7/h6-8,16H,1-5H2,(H4,12,13,15)/b14-9-.
What are the key properties of 1-[(5-hydroxy-2-adamantylidene)amino]guanidine?
1-[(5-hydroxy-2-adamantylidene)amino]guanidine has a molecular weight of 222.29 g/mol, XLogP of 0.40, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-hydroxy-2-adamantylidene)amino]guanidine is sourced from PubChem (CID 176539531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).