2-(1-adamantyl)-1-aminoguanidine

C11H20N4 — CID 64873828

IUPAC2-(1-adamantyl)-1-aminoguanidine
SMILESNN/C(N)=N/C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C11H20N4/c12-10(15-13)14-11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6,13H2,(H3,12,14,15)
InChIKeyZHFLKPQCECOLDT-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.73
Rot. Bonds1

About 2-(1-adamantyl)-1-aminoguanidine

2-(1-adamantyl)-1-aminoguanidine (PubChem CID 64873828) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-(1-adamantyl)-1-aminoguanidine.

Molecular Properties

Compound Name2-(1-adamantyl)-1-aminoguanidine
PubChem CID64873828
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name2-(1-adamantyl)-1-aminoguanidine
SMILESNN/C(N)=N/C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C11H20N4/c12-10(15-13)14-11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6,13H2,(H3,12,14,15)
InChIKeyZHFLKPQCECOLDT-UHFFFAOYSA-N
XLogP0.73
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(1-adamantyl)-1-aminoguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-1-aminoguanidine?
The IUPAC name of 2-(1-adamantyl)-1-aminoguanidine (CID 64873828) is 2-(1-adamantyl)-1-aminoguanidine.
What is the SMILES notation for 2-(1-adamantyl)-1-aminoguanidine?
The canonical SMILES for 2-(1-adamantyl)-1-aminoguanidine is NN/C(N)=N/C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-1-aminoguanidine?
The InChIKey is ZHFLKPQCECOLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c12-10(15-13)14-11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6,13H2,(H3,12,14,15).
What are the key properties of 2-(1-adamantyl)-1-aminoguanidine?
2-(1-adamantyl)-1-aminoguanidine has a molecular weight of 208.31 g/mol, XLogP of 0.73, 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-aminoguanidine is sourced from PubChem (CID 64873828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).