2-(1-adamantyl)guanidine;hydrochloride

C11H20ClN3 — CID 70696519

IUPAC2-(1-adamantyl)guanidine;hydrochloride
SMILESCl.NC(N)=NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C11H19N3.ClH/c12-10(13)14-11-4-7-1-8(5-11)3-9(2-7)6-11;/h7-9H,1-6H2,(H4,12,13,14);1H
InChIKeyVOYCXVGPLXVUAL-UHFFFAOYSA-N
MW229.75 g/mol
LogP1.65
Rot. Bonds1

About 2-(1-adamantyl)guanidine;hydrochloride

2-(1-adamantyl)guanidine;hydrochloride (PubChem CID 70696519) has the molecular formula C11H20ClN3 and a molecular weight of 229.75 g/mol. Its IUPAC name is 2-(1-adamantyl)guanidine;hydrochloride.

Molecular Properties

Compound Name2-(1-adamantyl)guanidine;hydrochloride
PubChem CID70696519
Molecular FormulaC11H20ClN3
Molecular Weight229.75 g/mol
Exact Mass229.13
IUPAC Name2-(1-adamantyl)guanidine;hydrochloride
SMILESCl.NC(N)=NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C11H19N3.ClH/c12-10(13)14-11-4-7-1-8(5-11)3-9(2-7)6-11;/h7-9H,1-6H2,(H4,12,13,14);1H
InChIKeyVOYCXVGPLXVUAL-UHFFFAOYSA-N
XLogP1.65
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.75
LogP ≤ 51.65
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-(1-adamantyl)guanidine;hydrochloride?
The IUPAC name of 2-(1-adamantyl)guanidine;hydrochloride (CID 70696519) is 2-(1-adamantyl)guanidine;hydrochloride.
What is the SMILES notation for 2-(1-adamantyl)guanidine;hydrochloride?
The canonical SMILES for 2-(1-adamantyl)guanidine;hydrochloride is Cl.NC(N)=NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)guanidine;hydrochloride?
The InChIKey is VOYCXVGPLXVUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3.ClH/c12-10(13)14-11-4-7-1-8(5-11)3-9(2-7)6-11;/h7-9H,1-6H2,(H4,12,13,14);1H.
What are the key properties of 2-(1-adamantyl)guanidine;hydrochloride?
2-(1-adamantyl)guanidine;hydrochloride has a molecular weight of 229.75 g/mol, XLogP of 1.65, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)guanidine;hydrochloride is sourced from PubChem (CID 70696519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).