azane;dodecan-1-amine;sulfuric acid

C12H32N2O4S — CID 173110292

IUPACazane;dodecan-1-amine;sulfuric acid
SMILESCCCCCCCCCCCCN.N.O=S(=O)(O)O
InChIInChI=1S/C12H27N.H3N.H2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13;;1-5(2,3)4/h2-13H2,1H3;1H3;(H2,1,2,3,4)
InChIKeyAYNALZPLZVODJI-UHFFFAOYSA-N
MW300.47 g/mol
LogP3.38
Rot. Bonds10

About azane;dodecan-1-amine;sulfuric acid

azane;dodecan-1-amine;sulfuric acid (PubChem CID 173110292) has the molecular formula C12H32N2O4S and a molecular weight of 300.47 g/mol. Its IUPAC name is azane;dodecan-1-amine;sulfuric acid.

Molecular Properties

Compound Nameazane;dodecan-1-amine;sulfuric acid
PubChem CID173110292
Molecular FormulaC12H32N2O4S
Molecular Weight300.47 g/mol
Exact Mass300.21
IUPAC Nameazane;dodecan-1-amine;sulfuric acid
SMILESCCCCCCCCCCCCN.N.O=S(=O)(O)O
InChIInChI=1S/C12H27N.H3N.H2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13;;1-5(2,3)4/h2-13H2,1H3;1H3;(H2,1,2,3,4)
InChIKeyAYNALZPLZVODJI-UHFFFAOYSA-N
XLogP3.38
TPSA135.62 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 53.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze azane;dodecan-1-amine;sulfuric acid 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

bis(nonan-1-amine);sulfuric acid
CID 3055201
methyl hydrogen sulfate;octadecan-1-amine
CID 173395931
sulfuric acid;tridecane
CID 91872702
azane;hexadecan-1-amine
CID 19891859
bis(nonan-1-amine);sulfate
CID 21153128
methyl hydrogen sulfate;pentan-1-amine
CID 173267345
dodecan-1-amine;hydroxylamine
CID 175960605
sodium;sulfuric acid;tetradecane
CID 170922474
butane-1,4-diamine;hexan-1-amine
CID 162097736
tridecan-1-amine;undecan-1-amine
CID 23045943
decan-1-amine;hexan-1-amine
CID 162216125
hexacosan-1-amine
CID 14550481

Frequently Asked Questions

What is the IUPAC name of azane;dodecan-1-amine;sulfuric acid?
The IUPAC name of azane;dodecan-1-amine;sulfuric acid (CID 173110292) is azane;dodecan-1-amine;sulfuric acid.
What is the SMILES notation for azane;dodecan-1-amine;sulfuric acid?
The canonical SMILES for azane;dodecan-1-amine;sulfuric acid is CCCCCCCCCCCCN.N.O=S(=O)(O)O.
What is the InChIKey of azane;dodecan-1-amine;sulfuric acid?
The InChIKey is AYNALZPLZVODJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N.H3N.H2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13;;1-5(2,3)4/h2-13H2,1H3;1H3;(H2,1,2,3,4).
What are the key properties of azane;dodecan-1-amine;sulfuric acid?
azane;dodecan-1-amine;sulfuric acid has a molecular weight of 300.47 g/mol, XLogP of 3.38, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;dodecan-1-amine;sulfuric acid is sourced from PubChem (CID 173110292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).