3,5-dimethyladamantan-1-amine;methanesulfonic acid

C13H25NO3S — CID 25168299

IUPAC3,5-dimethyladamantan-1-amine;methanesulfonic acid
SMILESCC12CC3CC(C)(C1)CC(N)(C3)C2.CS(=O)(=O)O
InChIInChI=1S/C12H21N.CH4O3S/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10;1-5(2,3)4/h9H,3-8,13H2,1-2H3;1H3,(H,2,3,4)
InChIKeyPVVJLDLVIQWBLY-UHFFFAOYSA-N
MW275.41 g/mol
LogP2.20
Rot. Bonds

About 3,5-dimethyladamantan-1-amine;methanesulfonic acid

3,5-dimethyladamantan-1-amine;methanesulfonic acid (PubChem CID 25168299) has the molecular formula C13H25NO3S and a molecular weight of 275.41 g/mol. Its IUPAC name is 3,5-dimethyladamantan-1-amine;methanesulfonic acid.

Molecular Properties

Compound Name3,5-dimethyladamantan-1-amine;methanesulfonic acid
PubChem CID25168299
Molecular FormulaC13H25NO3S
Molecular Weight275.41 g/mol
Exact Mass275.16
IUPAC Name3,5-dimethyladamantan-1-amine;methanesulfonic acid
SMILESCC12CC3CC(C)(C1)CC(N)(C3)C2.CS(=O)(=O)O
InChIInChI=1S/C12H21N.CH4O3S/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10;1-5(2,3)4/h9H,3-8,13H2,1-2H3;1H3,(H,2,3,4)
InChIKeyPVVJLDLVIQWBLY-UHFFFAOYSA-N
XLogP2.20
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

Neramexane Mesylate
CID 11425584
Adamantan-1-amine sulfate
CID 9837823
N-(3,5-dimethyl-1-adamantyl)-1,1,1-trifluoromethanesulfonamide
CID 155124470
N-(1-adamantyl)methanesulfonamide
CID 2932031
N-(3-ethyl-1-adamantyl)-1,1,1-trifluoromethanesulfonamide
CID 177855036
N-(1-adamantyl)ethanesulfonamide
CID 3574114
1-Adamantylsulfamic acid
CID 13271164
N-(1-adamantyl)propane-2-sulfonamide
CID 49454798
(3-Methyladamantanyl)(methylsulfonyl)amine
CID 50878217
N-(1-adamantyl)butane-2-sulfonamide
CID 60056620
1-Amino-3,5-dimethyl-adamantane sulfate
CID 70628947
cis-(1S,5S)-1,3,3,5-tetramethylcyclohexan-1-amine;methanesulfonic acid
CID 87135490

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyladamantan-1-amine;methanesulfonic acid?
The IUPAC name of 3,5-dimethyladamantan-1-amine;methanesulfonic acid (CID 25168299) is 3,5-dimethyladamantan-1-amine;methanesulfonic acid.
What is the SMILES notation for 3,5-dimethyladamantan-1-amine;methanesulfonic acid?
The canonical SMILES for 3,5-dimethyladamantan-1-amine;methanesulfonic acid is CC12CC3CC(C)(C1)CC(N)(C3)C2.CS(=O)(=O)O.
What is the InChIKey of 3,5-dimethyladamantan-1-amine;methanesulfonic acid?
The InChIKey is PVVJLDLVIQWBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N.CH4O3S/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10;1-5(2,3)4/h9H,3-8,13H2,1-2H3;1H3,(H,2,3,4).
What are the key properties of 3,5-dimethyladamantan-1-amine;methanesulfonic acid?
3,5-dimethyladamantan-1-amine;methanesulfonic acid has a molecular weight of 275.41 g/mol, XLogP of 2.20, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyladamantan-1-amine;methanesulfonic acid is sourced from PubChem (CID 25168299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).