(3,5-dimethyl-1-adamantyl)-methylazanium

C13H24N+ — CID 5276621

IUPAC(3,5-dimethyl-1-adamantyl)-methylazanium
SMILESC[NH2+]C12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C13H23N/c1-11-4-10-5-12(2,7-11)9-13(6-10,8-11)14-3/h10,14H,4-9H2,1-3H3/p+1
InChIKeyFQPYRWAIWQNTFQ-UHFFFAOYSA-O
MW194.34 g/mol
LogP1.93
Rot. Bonds1

About (3,5-dimethyl-1-adamantyl)-methylazanium

(3,5-dimethyl-1-adamantyl)-methylazanium (PubChem CID 5276621) has the molecular formula C13H24N+ and a molecular weight of 194.34 g/mol. Its IUPAC name is (3,5-dimethyl-1-adamantyl)-methylazanium.

Molecular Properties

Compound Name(3,5-dimethyl-1-adamantyl)-methylazanium
PubChem CID5276621
Molecular FormulaC13H24N+
Molecular Weight194.34 g/mol
Exact Mass194.19
IUPAC Name(3,5-dimethyl-1-adamantyl)-methylazanium
SMILESC[NH2+]C12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C13H23N/c1-11-4-10-5-12(2,7-11)9-13(6-10,8-11)14-3/h10,14H,4-9H2,1-3H3/p+1
InChIKeyFQPYRWAIWQNTFQ-UHFFFAOYSA-O
XLogP1.93
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.34
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze (3,5-dimethyl-1-adamantyl)-methylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Memantine
CID 4054
Memantine Hydrochloride
CID 181458
(3R,5S)-3,5-dimethyl-1-adamantanamine
CID 1263681
1-(Methylamino)adamantane
CID 19476
N-Ethyladamantan-1-amine
CID 19480
N-(1-Adamantyl)ethylenediamine
CID 303798
(1r,3R,5S,7r)-3,5-dimethyladamantan-1-amine hydrochloride
CID 11229655
((Adamantan-1-yl)methyl)(methyl)amine
CID 3010130
Somantadine
CID 50234
1-Amino-3-ethyladamantane
CID 64352
1-Aminoadamantane,3,5-diethyl
CID 10013264
N-ethyl-3,5-dimethyl-adamantan-1-amine
CID 5276625

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1-adamantyl)-methylazanium?
The IUPAC name of (3,5-dimethyl-1-adamantyl)-methylazanium (CID 5276621) is (3,5-dimethyl-1-adamantyl)-methylazanium.
What is the SMILES notation for (3,5-dimethyl-1-adamantyl)-methylazanium?
The canonical SMILES for (3,5-dimethyl-1-adamantyl)-methylazanium is C[NH2+]C12CC3CC(C)(CC(C)(C3)C1)C2.
What is the InChIKey of (3,5-dimethyl-1-adamantyl)-methylazanium?
The InChIKey is FQPYRWAIWQNTFQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H23N/c1-11-4-10-5-12(2,7-11)9-13(6-10,8-11)14-3/h10,14H,4-9H2,1-3H3/p+1.
What are the key properties of (3,5-dimethyl-1-adamantyl)-methylazanium?
(3,5-dimethyl-1-adamantyl)-methylazanium has a molecular weight of 194.34 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1-adamantyl)-methylazanium is sourced from PubChem (CID 5276621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).