decan-3-ylazanium chloride

C10H24ClN — CID 88625887

IUPACdecan-3-ylazanium chloride
SMILESCCCCCCCC([NH3+])CC.[Cl-]
InChIInChI=1S/C10H23N.ClH/c1-3-5-6-7-8-9-10(11)4-2;/h10H,3-9,11H2,1-2H3;1H
InChIKeyPKBJENUOSWIYKT-UHFFFAOYSA-N
MW193.76 g/mol
LogP-0.63
Rot. Bonds7

About decan-3-ylazanium chloride

decan-3-ylazanium chloride (PubChem CID 88625887) has the molecular formula C10H24ClN and a molecular weight of 193.76 g/mol. Its IUPAC name is decan-3-ylazanium chloride.

Molecular Properties

Compound Namedecan-3-ylazanium chloride
PubChem CID88625887
Molecular FormulaC10H24ClN
Molecular Weight193.76 g/mol
Exact Mass193.16
IUPAC Namedecan-3-ylazanium chloride
SMILESCCCCCCCC([NH3+])CC.[Cl-]
InChIInChI=1S/C10H23N.ClH/c1-3-5-6-7-8-9-10(11)4-2;/h10H,3-9,11H2,1-2H3;1H
InChIKeyPKBJENUOSWIYKT-UHFFFAOYSA-N
XLogP-0.63
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.76
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze decan-3-ylazanium chloride 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

[(3R)-nonan-3-yl]azanium
CID 140886283
heptatriacontan-19-ylazanium
CID 22345110
henicosan-11-ylazanium
CID 22645794
dodecyl(dimethyl)azanium;pentacosan-13-ylazanium;dichloride
CID 142632996
1-hydroxytricosan-11-ylazanium iodide
CID 89439401
undecane chloride
CID 19736895
3-azaniumylnonanoate
CID 78263534
9,10-diethyloctadecane
CID 530164
3-ethylicosane
CID 528487
3-ethylpentacosane
CID 22224239
7-ethyltetracosane
CID 22223872
7-ethyltetradecane
CID 529902

Frequently Asked Questions

What is the IUPAC name of decan-3-ylazanium chloride?
The IUPAC name of decan-3-ylazanium chloride (CID 88625887) is decan-3-ylazanium chloride.
What is the SMILES notation for decan-3-ylazanium chloride?
The canonical SMILES for decan-3-ylazanium chloride is CCCCCCCC([NH3+])CC.[Cl-].
What is the InChIKey of decan-3-ylazanium chloride?
The InChIKey is PKBJENUOSWIYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N.ClH/c1-3-5-6-7-8-9-10(11)4-2;/h10H,3-9,11H2,1-2H3;1H.
What are the key properties of decan-3-ylazanium chloride?
decan-3-ylazanium chloride has a molecular weight of 193.76 g/mol, XLogP of -0.63, 7 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for decan-3-ylazanium chloride is sourced from PubChem (CID 88625887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).