1-adamantyl(trimethyl)azanium chloride

C13H24ClN — CID 10966295

IUPAC1-adamantyl(trimethyl)azanium chloride
SMILESC[N+](C)(C)C12CC3CC(CC(C3)C1)C2.[Cl-]
InChIInChI=1S/C13H24N.ClH/c1-14(2,3)13-7-10-4-11(8-13)6-12(5-10)9-13;/h10-12H,4-9H2,1-3H3;1H/q+1;/p-1
InChIKeyFEAMTICPHLBOPE-UHFFFAOYSA-M
MW229.79 g/mol
LogP-0.33
Rot. Bonds1

About 1-adamantyl(trimethyl)azanium chloride

1-adamantyl(trimethyl)azanium chloride (PubChem CID 10966295) has the molecular formula C13H24ClN and a molecular weight of 229.79 g/mol. Its IUPAC name is 1-adamantyl(trimethyl)azanium chloride.

Molecular Properties

Compound Name1-adamantyl(trimethyl)azanium chloride
PubChem CID10966295
Molecular FormulaC13H24ClN
Molecular Weight229.79 g/mol
Exact Mass229.16
IUPAC Name1-adamantyl(trimethyl)azanium chloride
SMILESC[N+](C)(C)C12CC3CC(CC(C3)C1)C2.[Cl-]
InChIInChI=1S/C13H24N.ClH/c1-14(2,3)13-7-10-4-11(8-13)6-12(5-10)9-13;/h10-12H,4-9H2,1-3H3;1H/q+1;/p-1
InChIKeyFEAMTICPHLBOPE-UHFFFAOYSA-M
XLogP-0.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.79
LogP ≤ 5-0.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-adamantyl(trimethyl)azanium chloride?
The IUPAC name of 1-adamantyl(trimethyl)azanium chloride (CID 10966295) is 1-adamantyl(trimethyl)azanium chloride.
What is the SMILES notation for 1-adamantyl(trimethyl)azanium chloride?
The canonical SMILES for 1-adamantyl(trimethyl)azanium chloride is C[N+](C)(C)C12CC3CC(CC(C3)C1)C2.[Cl-].
What is the InChIKey of 1-adamantyl(trimethyl)azanium chloride?
The InChIKey is FEAMTICPHLBOPE-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H24N.ClH/c1-14(2,3)13-7-10-4-11(8-13)6-12(5-10)9-13;/h10-12H,4-9H2,1-3H3;1H/q+1;/p-1.
What are the key properties of 1-adamantyl(trimethyl)azanium chloride?
1-adamantyl(trimethyl)azanium chloride has a molecular weight of 229.79 g/mol, XLogP of -0.33, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl(trimethyl)azanium chloride is sourced from PubChem (CID 10966295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).