2-(3-fluoro-1-adamantyl)guanidine

C11H18FN3 — CID 58192768

IUPAC2-(3-fluoro-1-adamantyl)guanidine
SMILESNC(N)=NC12CC3CC(CC(F)(C3)C1)C2
InChIInChI=1S/C11H18FN3/c12-10-2-7-1-8(3-10)5-11(4-7,6-10)15-9(13)14/h7-8H,1-6H2,(H4,13,14,15)
InChIKeyPCAGFFCTNVVMCA-UHFFFAOYSA-N
MW211.28 g/mol
LogP1.32
Rot. Bonds1

About 2-(3-fluoro-1-adamantyl)guanidine

2-(3-fluoro-1-adamantyl)guanidine (PubChem CID 58192768) has the molecular formula C11H18FN3 and a molecular weight of 211.28 g/mol. Its IUPAC name is 2-(3-fluoro-1-adamantyl)guanidine.

Molecular Properties

Compound Name2-(3-fluoro-1-adamantyl)guanidine
PubChem CID58192768
Molecular FormulaC11H18FN3
Molecular Weight211.28 g/mol
Exact Mass211.15
IUPAC Name2-(3-fluoro-1-adamantyl)guanidine
SMILESNC(N)=NC12CC3CC(CC(F)(C3)C1)C2
InChIInChI=1S/C11H18FN3/c12-10-2-7-1-8(3-10)5-11(4-7,6-10)15-9(13)14/h7-8H,1-6H2,(H4,13,14,15)
InChIKeyPCAGFFCTNVVMCA-UHFFFAOYSA-N
XLogP1.32
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-1-adamantyl)guanidine?
The IUPAC name of 2-(3-fluoro-1-adamantyl)guanidine (CID 58192768) is 2-(3-fluoro-1-adamantyl)guanidine.
What is the SMILES notation for 2-(3-fluoro-1-adamantyl)guanidine?
The canonical SMILES for 2-(3-fluoro-1-adamantyl)guanidine is NC(N)=NC12CC3CC(CC(F)(C3)C1)C2.
What is the InChIKey of 2-(3-fluoro-1-adamantyl)guanidine?
The InChIKey is PCAGFFCTNVVMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3/c12-10-2-7-1-8(3-10)5-11(4-7,6-10)15-9(13)14/h7-8H,1-6H2,(H4,13,14,15).
What are the key properties of 2-(3-fluoro-1-adamantyl)guanidine?
2-(3-fluoro-1-adamantyl)guanidine has a molecular weight of 211.28 g/mol, XLogP of 1.32, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-1-adamantyl)guanidine is sourced from PubChem (CID 58192768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).