dialuminum;octadecylhydrazine;trisulfate

C18H40Al2N2O12S3 — CID 174557515

IUPACdialuminum;octadecylhydrazine;trisulfate
SMILESCCCCCCCCCCCCCCCCCCNN.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Al+3].[Al+3]
InChIInChI=1S/C18H40N2.2Al.3H2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19;;;3*1-5(2,3)4/h20H,2-19H2,1H3;;;3*(H2,1,2,3,4)/q;2*+3;;;/p-6
InChIKeyJMMNOXRFTLRDBE-UHFFFAOYSA-H
MW626.68 g/mol
LogP0.94
Rot. Bonds17

About dialuminum;octadecylhydrazine;trisulfate

dialuminum;octadecylhydrazine;trisulfate (PubChem CID 174557515) has the molecular formula C18H40Al2N2O12S3 and a molecular weight of 626.68 g/mol. Its IUPAC name is dialuminum;octadecylhydrazine;trisulfate.

Molecular Properties

Compound Namedialuminum;octadecylhydrazine;trisulfate
PubChem CID174557515
Molecular FormulaC18H40Al2N2O12S3
Molecular Weight626.68 g/mol
Exact Mass626.14
IUPAC Namedialuminum;octadecylhydrazine;trisulfate
SMILESCCCCCCCCCCCCCCCCCCNN.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Al+3].[Al+3]
InChIInChI=1S/C18H40N2.2Al.3H2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19;;;3*1-5(2,3)4/h20H,2-19H2,1H3;;;3*(H2,1,2,3,4)/q;2*+3;;;/p-6
InChIKeyJMMNOXRFTLRDBE-UHFFFAOYSA-H
XLogP0.94
TPSA278.83 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds17
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.68
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

Analyze dialuminum;octadecylhydrazine;trisulfate 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

nonylhydrazine
CID 12557540
heptylhydrazine;trihydrochloride
CID 173153281
dodecylhydrazine;pentane
CID 175454075
pentylhydrazine;dihydrochloride
CID 71757444
disodium;bis(tetradecane);sulfate
CID 173098136
sodium;dodecane;sulfate
CID 23355954
prop-1-ene;tetradecylhydrazine
CID 88793277
aluminum tris(octadecane-1-sulfonate)
CID 158491370
N-(3-hydrazinylpropyl)pentan-1-amine
CID 126626946
bis(nonan-1-amine);sulfate
CID 21153128
sodium N-octadecylsulfamate
CID 87410765
disodium bis(3-(dodecylamino)propane-1-sulfonate)
CID 19793942

Frequently Asked Questions

What is the IUPAC name of dialuminum;octadecylhydrazine;trisulfate?
The IUPAC name of dialuminum;octadecylhydrazine;trisulfate (CID 174557515) is dialuminum;octadecylhydrazine;trisulfate.
What is the SMILES notation for dialuminum;octadecylhydrazine;trisulfate?
The canonical SMILES for dialuminum;octadecylhydrazine;trisulfate is CCCCCCCCCCCCCCCCCCNN.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Al+3].[Al+3].
What is the InChIKey of dialuminum;octadecylhydrazine;trisulfate?
The InChIKey is JMMNOXRFTLRDBE-UHFFFAOYSA-H. The full InChI is InChI=1S/C18H40N2.2Al.3H2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19;;;3*1-5(2,3)4/h20H,2-19H2,1H3;;;3*(H2,1,2,3,4)/q;2*+3;;;/p-6.
What are the key properties of dialuminum;octadecylhydrazine;trisulfate?
dialuminum;octadecylhydrazine;trisulfate has a molecular weight of 626.68 g/mol, XLogP of 0.94, 17 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for dialuminum;octadecylhydrazine;trisulfate is sourced from PubChem (CID 174557515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).