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

C14H23NO4 — CID 25168430

IUPAC3,5-dimethyladamantan-1-amine;oxalic acid
SMILESCC12CC3CC(C)(C1)CC(N)(C3)C2.O=C(O)C(=O)O
InChIInChI=1S/C12H21N.C2H2O4/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10;3-1(4)2(5)6/h9H,3-8,13H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyFGDLNJAGEZYBDI-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.85
Rot. Bonds

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

3,5-dimethyladamantan-1-amine;oxalic acid (PubChem CID 25168430) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3,5-dimethyladamantan-1-amine;oxalic acid.

Molecular Properties

Compound Name3,5-dimethyladamantan-1-amine;oxalic acid
PubChem CID25168430
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name3,5-dimethyladamantan-1-amine;oxalic acid
SMILESCC12CC3CC(C)(C1)CC(N)(C3)C2.O=C(O)C(=O)O
InChIInChI=1S/C12H21N.C2H2O4/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10;3-1(4)2(5)6/h9H,3-8,13H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyFGDLNJAGEZYBDI-UHFFFAOYSA-N
XLogP1.85
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyladamantan-1-amine;oxalic acid?
The IUPAC name of 3,5-dimethyladamantan-1-amine;oxalic acid (CID 25168430) is 3,5-dimethyladamantan-1-amine;oxalic acid.
What is the SMILES notation for 3,5-dimethyladamantan-1-amine;oxalic acid?
The canonical SMILES for 3,5-dimethyladamantan-1-amine;oxalic acid is CC12CC3CC(C)(C1)CC(N)(C3)C2.O=C(O)C(=O)O.
What is the InChIKey of 3,5-dimethyladamantan-1-amine;oxalic acid?
The InChIKey is FGDLNJAGEZYBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N.C2H2O4/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10;3-1(4)2(5)6/h9H,3-8,13H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of 3,5-dimethyladamantan-1-amine;oxalic acid?
3,5-dimethyladamantan-1-amine;oxalic acid has a molecular weight of 269.34 g/mol, XLogP of 1.85, 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;oxalic acid is sourced from PubChem (CID 25168430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).