bis(adamantan-2-amine);sulfuric acid

C20H36N2O4S — CID 131850245

IUPACbis(adamantan-2-amine);sulfuric acid
SMILESNC1C2CC3CC(C2)CC1C3.NC1C2CC3CC(C2)CC1C3.O=S(=O)(O)O
InChIInChI=1S/2C10H17N.H2O4S/c2*11-10-8-2-6-1-7(4-8)5-9(10)3-6;1-5(2,3)4/h2*6-10H,1-5,11H2;(H2,1,2,3,4)
InChIKeyULXTVGPLVAJEEW-UHFFFAOYSA-N
MW400.59 g/mol
LogP2.89
Rot. Bonds

About bis(adamantan-2-amine);sulfuric acid

bis(adamantan-2-amine);sulfuric acid (PubChem CID 131850245) has the molecular formula C20H36N2O4S and a molecular weight of 400.59 g/mol. Its IUPAC name is bis(adamantan-2-amine);sulfuric acid.

Molecular Properties

Compound Namebis(adamantan-2-amine);sulfuric acid
PubChem CID131850245
Molecular FormulaC20H36N2O4S
Molecular Weight400.59 g/mol
Exact Mass400.24
IUPAC Namebis(adamantan-2-amine);sulfuric acid
SMILESNC1C2CC3CC(C2)CC1C3.NC1C2CC3CC(C2)CC1C3.O=S(=O)(O)O
InChIInChI=1S/2C10H17N.H2O4S/c2*11-10-8-2-6-1-7(4-8)5-9(10)3-6;1-5(2,3)4/h2*6-10H,1-5,11H2;(H2,1,2,3,4)
InChIKeyULXTVGPLVAJEEW-UHFFFAOYSA-N
XLogP2.89
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.59
LogP ≤ 52.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(adamantan-2-amine);sulfuric acid?
The IUPAC name of bis(adamantan-2-amine);sulfuric acid (CID 131850245) is bis(adamantan-2-amine);sulfuric acid.
What is the SMILES notation for bis(adamantan-2-amine);sulfuric acid?
The canonical SMILES for bis(adamantan-2-amine);sulfuric acid is NC1C2CC3CC(C2)CC1C3.NC1C2CC3CC(C2)CC1C3.O=S(=O)(O)O.
What is the InChIKey of bis(adamantan-2-amine);sulfuric acid?
The InChIKey is ULXTVGPLVAJEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H17N.H2O4S/c2*11-10-8-2-6-1-7(4-8)5-9(10)3-6;1-5(2,3)4/h2*6-10H,1-5,11H2;(H2,1,2,3,4).
What are the key properties of bis(adamantan-2-amine);sulfuric acid?
bis(adamantan-2-amine);sulfuric acid has a molecular weight of 400.59 g/mol, XLogP of 2.89, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(adamantan-2-amine);sulfuric acid is sourced from PubChem (CID 131850245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).