[3-(2-fluoroethyl)-1-adamantyl]azanium

C12H21FN+ — CID 140711082

IUPAC[3-(2-fluoroethyl)-1-adamantyl]azanium
SMILES[NH3+]C12CC3CC(C1)CC(CCF)(C3)C2
InChIInChI=1S/C12H20FN/c13-2-1-11-4-9-3-10(5-11)7-12(14,6-9)8-11/h9-10H,1-8,14H2/p+1
InChIKeyHUYVZSFADWYSHD-UHFFFAOYSA-O
MW198.30 g/mol
LogP1.93
Rot. Bonds2

About [3-(2-fluoroethyl)-1-adamantyl]azanium

[3-(2-fluoroethyl)-1-adamantyl]azanium (PubChem CID 140711082) has the molecular formula C12H21FN+ and a molecular weight of 198.30 g/mol. Its IUPAC name is [3-(2-fluoroethyl)-1-adamantyl]azanium.

Molecular Properties

Compound Name[3-(2-fluoroethyl)-1-adamantyl]azanium
PubChem CID140711082
Molecular FormulaC12H21FN+
Molecular Weight198.30 g/mol
Exact Mass198.17
IUPAC Name[3-(2-fluoroethyl)-1-adamantyl]azanium
SMILES[NH3+]C12CC3CC(C1)CC(CCF)(C3)C2
InChIInChI=1S/C12H20FN/c13-2-1-11-4-9-3-10(5-11)7-12(14,6-9)8-11/h9-10H,1-8,14H2/p+1
InChIKeyHUYVZSFADWYSHD-UHFFFAOYSA-O
XLogP1.93
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.30
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

Memantine
CID 4054
Amantadine
CID 2130
Amantadine Hydrochloride
CID 64150
Memantine Hydrochloride
CID 181458
(3R,5S)-3,5-dimethyl-1-adamantanamine
CID 1263681
Adamantane-1,3-diamine
CID 213512
(1r,3R,5S,7r)-3,5-dimethyladamantan-1-amine hydrochloride
CID 11229655
2-(1-Adamantyl)propan-2-amine
CID 3010140
Somantadine
CID 50234
1-Amino-3-ethyladamantane
CID 64352
1-Aminoadamantane,3,5-diethyl
CID 10013264
3-Cyclohexyladamantan-1-amine hydrochloride
CID 19990381

Frequently Asked Questions

What is the IUPAC name of [3-(2-fluoroethyl)-1-adamantyl]azanium?
The IUPAC name of [3-(2-fluoroethyl)-1-adamantyl]azanium (CID 140711082) is [3-(2-fluoroethyl)-1-adamantyl]azanium.
What is the SMILES notation for [3-(2-fluoroethyl)-1-adamantyl]azanium?
The canonical SMILES for [3-(2-fluoroethyl)-1-adamantyl]azanium is [NH3+]C12CC3CC(C1)CC(CCF)(C3)C2.
What is the InChIKey of [3-(2-fluoroethyl)-1-adamantyl]azanium?
The InChIKey is HUYVZSFADWYSHD-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H20FN/c13-2-1-11-4-9-3-10(5-11)7-12(14,6-9)8-11/h9-10H,1-8,14H2/p+1.
What are the key properties of [3-(2-fluoroethyl)-1-adamantyl]azanium?
[3-(2-fluoroethyl)-1-adamantyl]azanium has a molecular weight of 198.30 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-fluoroethyl)-1-adamantyl]azanium is sourced from PubChem (CID 140711082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).