1-(2-adamantyl)pyridin-1-ium

C15H20N+ — CID 69201568

IUPAC1-(2-adamantyl)pyridin-1-ium
SMILESc1cc[n+](C2C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C15H20N/c1-2-4-16(5-3-1)15-13-7-11-6-12(9-13)10-14(15)8-11/h1-5,11-15H,6-10H2/q+1
InChIKeySXOJHZPIRMRFFV-UHFFFAOYSA-N
MW214.33 g/mol
LogP2.97
Rot. Bonds1

About 1-(2-adamantyl)pyridin-1-ium

1-(2-adamantyl)pyridin-1-ium (PubChem CID 69201568) has the molecular formula C15H20N+ and a molecular weight of 214.33 g/mol. Its IUPAC name is 1-(2-adamantyl)pyridin-1-ium.

Molecular Properties

Compound Name1-(2-adamantyl)pyridin-1-ium
PubChem CID69201568
Molecular FormulaC15H20N+
Molecular Weight214.33 g/mol
Exact Mass214.16
IUPAC Name1-(2-adamantyl)pyridin-1-ium
SMILESc1cc[n+](C2C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C15H20N/c1-2-4-16(5-3-1)15-13-7-11-6-12(9-13)10-14(15)8-11/h1-5,11-15H,6-10H2/q+1
InChIKeySXOJHZPIRMRFFV-UHFFFAOYSA-N
XLogP2.97
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-adamantyl(triphenyl)stannane
CID 13131441
adamantane;hydrogen peroxide
CID 159706724
pentacyclo[9.5.1.13,9.15,15.17,13]icosane
CID 86001136
1-(2-adamantyl)-3-(2,4,6-trimethylphenyl)imidazol-1-ium tetrafluoroborate
CID 121237536
2-iodoadamantane
CID 584609
adamantane;ruthenium(2+)
CID 175795757
adamantane;hydrobromide
CID 68587587
adamantane;hydrate
CID 137498586
adamantane-2,4-diamine
CID 12813520
1-(2-adamantyl)-2-phenylhydrazine
CID 13349717
N-(2-adamantyl)-N'-phenylethane-1,2-diamine
CID 6480553
2-deuterio-2-(2-deuterio-2-adamantyl)adamantane
CID 10492446

Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyl)pyridin-1-ium?
The IUPAC name of 1-(2-adamantyl)pyridin-1-ium (CID 69201568) is 1-(2-adamantyl)pyridin-1-ium.
What is the SMILES notation for 1-(2-adamantyl)pyridin-1-ium?
The canonical SMILES for 1-(2-adamantyl)pyridin-1-ium is c1cc[n+](C2C3CC4CC(C3)CC2C4)cc1.
What is the InChIKey of 1-(2-adamantyl)pyridin-1-ium?
The InChIKey is SXOJHZPIRMRFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N/c1-2-4-16(5-3-1)15-13-7-11-6-12(9-13)10-14(15)8-11/h1-5,11-15H,6-10H2/q+1.
What are the key properties of 1-(2-adamantyl)pyridin-1-ium?
1-(2-adamantyl)pyridin-1-ium has a molecular weight of 214.33 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyl)pyridin-1-ium is sourced from PubChem (CID 69201568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).