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

C12H23NO4S — CID 70628947

IUPAC3,5-dimethyladamantan-1-amine;sulfuric acid
SMILESCC12CC3CC(C)(C1)CC(N)(C3)C2.O=S(=O)(O)O
InChIInChI=1S/C12H21N.H2O4S/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;(H2,1,2,3,4)
InChIKeyCKHRIZFPSZAFLO-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.04
Rot. Bonds

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

3,5-dimethyladamantan-1-amine;sulfuric acid (PubChem CID 70628947) has the molecular formula C12H23NO4S and a molecular weight of 277.39 g/mol. Its IUPAC name is 3,5-dimethyladamantan-1-amine;sulfuric acid.

Molecular Properties

Compound Name3,5-dimethyladamantan-1-amine;sulfuric acid
PubChem CID70628947
Molecular FormulaC12H23NO4S
Molecular Weight277.39 g/mol
Exact Mass277.13
IUPAC Name3,5-dimethyladamantan-1-amine;sulfuric acid
SMILESCC12CC3CC(C)(C1)CC(N)(C3)C2.O=S(=O)(O)O
InChIInChI=1S/C12H21N.H2O4S/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;(H2,1,2,3,4)
InChIKeyCKHRIZFPSZAFLO-UHFFFAOYSA-N
XLogP2.04
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Amantadine Sulfate
CID 124108
Adamantan-1-amine sulfate
CID 9837823
CID 22467655
CID 22467655
N-tert-Butyl-N'-(adamant-l-yl) sulfamide
CID 12708050
1-Adamantylsulfamic acid
CID 13271164
3,5-Dimethyladamantan-1-amine;methanesulfonic acid
CID 25168299
(3-Methyladamantanyl)(methylsulfonyl)amine
CID 50878217
N-(1-adamantyl)sulfamate
CID 51861439
3,5-Dimethyladamantan-1-amine;hydrate
CID 67111013
3,5-Dimethyladamantan-1-amine;hydrate;hydrochloride
CID 69278170
Boric acid;3,5-dimethyladamantan-1-amine
CID 69538443
[(1-Adamantylamino)sulfonimidoyl] sulfamate
CID 87827631

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyladamantan-1-amine;sulfuric acid?
The IUPAC name of 3,5-dimethyladamantan-1-amine;sulfuric acid (CID 70628947) is 3,5-dimethyladamantan-1-amine;sulfuric acid.
What is the SMILES notation for 3,5-dimethyladamantan-1-amine;sulfuric acid?
The canonical SMILES for 3,5-dimethyladamantan-1-amine;sulfuric acid is CC12CC3CC(C)(C1)CC(N)(C3)C2.O=S(=O)(O)O.
What is the InChIKey of 3,5-dimethyladamantan-1-amine;sulfuric acid?
The InChIKey is CKHRIZFPSZAFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N.H2O4S/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;(H2,1,2,3,4).
What are the key properties of 3,5-dimethyladamantan-1-amine;sulfuric acid?
3,5-dimethyladamantan-1-amine;sulfuric acid has a molecular weight of 277.39 g/mol, XLogP of 2.04, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyladamantan-1-amine;sulfuric acid is sourced from PubChem (CID 70628947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).