1-adamantyl(trimethyl)azanium

C13H24N+ — CID 3010127

IUPAC1-adamantyl(trimethyl)azanium
SMILESC[N+](C)(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H24N/c1-14(2,3)13-7-10-4-11(8-13)6-12(5-10)9-13/h10-12H,4-9H2,1-3H3/q+1
InChIKeyKKXBPUAYFJQMLN-UHFFFAOYSA-N
MW194.34 g/mol
LogP2.66
Rot. Bonds1

About 1-adamantyl(trimethyl)azanium

1-adamantyl(trimethyl)azanium (PubChem CID 3010127) has the molecular formula C13H24N+ and a molecular weight of 194.34 g/mol. Its IUPAC name is 1-adamantyl(trimethyl)azanium.

Molecular Properties

Compound Name1-adamantyl(trimethyl)azanium
PubChem CID3010127
Molecular FormulaC13H24N+
Molecular Weight194.34 g/mol
Exact Mass194.19
IUPAC Name1-adamantyl(trimethyl)azanium
SMILESC[N+](C)(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H24N/c1-14(2,3)13-7-10-4-11(8-13)6-12(5-10)9-13/h10-12H,4-9H2,1-3H3/q+1
InChIKeyKKXBPUAYFJQMLN-UHFFFAOYSA-N
XLogP2.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.34
LogP ≤ 52.66
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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Related Compounds

N,N-dimethyl-1-adamantanamine
CID 19478
1-(Methylamino)adamantane
CID 19476
Tricyclo(3.3.1.1 3,7)decan-1-aminium, N,N,N-trimethyl-, chloride (1:1)
CID 10966295
Tricyclo(3.3.1.13,7)decan-1-aminium, N,N,N-trimethyl-, hydroxide (1:1)
CID 14475644
N-methyladamantan-1-amine hydrochloride
CID 19477
2,2-diethyl-N,N-dimethyladamantan-1-amine
CID 71450361
CID 5276624
CID 5276624
2-N,N-dimethylaminoadamantane
CID 25340
2-Adamantanamine, N,N-dimethyl-, hydrochloride
CID 25339
Adamantane, 1-(3-dimethylaminopropyl)-, hydrochloride
CID 36005
N,N-dimethyl-2-propan-2-yladamantan-1-amine
CID 71455732
N,N,2,2-tetramethyladamantan-1-amine
CID 71459393

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl(trimethyl)azanium?
The IUPAC name of 1-adamantyl(trimethyl)azanium (CID 3010127) is 1-adamantyl(trimethyl)azanium.
What is the SMILES notation for 1-adamantyl(trimethyl)azanium?
The canonical SMILES for 1-adamantyl(trimethyl)azanium is C[N+](C)(C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyl(trimethyl)azanium?
The InChIKey is KKXBPUAYFJQMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N/c1-14(2,3)13-7-10-4-11(8-13)6-12(5-10)9-13/h10-12H,4-9H2,1-3H3/q+1.
What are the key properties of 1-adamantyl(trimethyl)azanium?
1-adamantyl(trimethyl)azanium has a molecular weight of 194.34 g/mol, XLogP of 2.66, 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 is sourced from PubChem (CID 3010127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).