hydroxymethyl-[5-[hydroxymethyl(dimethyl)azaniumyl]pentyl]-dimethylazanium

C11H28N2O2+2 — CID 59782516

IUPAChydroxymethyl-[5-[hydroxymethyl(dimethyl)azaniumyl]pentyl]-dimethylazanium
SMILESC[N+](C)(CO)CCCCC[N+](C)(C)CO
InChIInChI=1S/C11H28N2O2/c1-12(2,10-14)8-6-5-7-9-13(3,4)11-15/h14-15H,5-11H2,1-4H3/q+2
InChIKeyRZJHJXQUYPNTGA-UHFFFAOYSA-N
MW220.36 g/mol
LogP0.21
Rot. Bonds8

About hydroxymethyl-[5-[hydroxymethyl(dimethyl)azaniumyl]pentyl]-dimethylazanium

hydroxymethyl-[5-[hydroxymethyl(dimethyl)azaniumyl]pentyl]-dimethylazanium (PubChem CID 59782516) has the molecular formula C11H28N2O2+2 and a molecular weight of 220.36 g/mol. Its IUPAC name is hydroxymethyl-[5-[hydroxymethyl(dimethyl)azaniumyl]pentyl]-dimethylazanium.

Molecular Properties

Compound Namehydroxymethyl-[5-[hydroxymethyl(dimethyl)azaniumyl]pentyl]-dimethylazanium
PubChem CID59782516
Molecular FormulaC11H28N2O2+2
Molecular Weight220.36 g/mol
Exact Mass220.21
IUPAC Namehydroxymethyl-[5-[hydroxymethyl(dimethyl)azaniumyl]pentyl]-dimethylazanium
SMILESC[N+](C)(CO)CCCCC[N+](C)(C)CO
InChIInChI=1S/C11H28N2O2/c1-12(2,10-14)8-6-5-7-9-13(3,4)11-15/h14-15H,5-11H2,1-4H3/q+2
InChIKeyRZJHJXQUYPNTGA-UHFFFAOYSA-N
XLogP0.21
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze hydroxymethyl-[5-[hydroxymethyl(dimethyl)azaniumyl]pentyl]-dimethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of hydroxymethyl-[5-[hydroxymethyl(dimethyl)azaniumyl]pentyl]-dimethylazanium?
The IUPAC name of hydroxymethyl-[5-[hydroxymethyl(dimethyl)azaniumyl]pentyl]-dimethylazanium (CID 59782516) is hydroxymethyl-[5-[hydroxymethyl(dimethyl)azaniumyl]pentyl]-dimethylazanium.
What is the SMILES notation for hydroxymethyl-[5-[hydroxymethyl(dimethyl)azaniumyl]pentyl]-dimethylazanium?
The canonical SMILES for hydroxymethyl-[5-[hydroxymethyl(dimethyl)azaniumyl]pentyl]-dimethylazanium is C[N+](C)(CO)CCCCC[N+](C)(C)CO.
What is the InChIKey of hydroxymethyl-[5-[hydroxymethyl(dimethyl)azaniumyl]pentyl]-dimethylazanium?
The InChIKey is RZJHJXQUYPNTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H28N2O2/c1-12(2,10-14)8-6-5-7-9-13(3,4)11-15/h14-15H,5-11H2,1-4H3/q+2.
What are the key properties of hydroxymethyl-[5-[hydroxymethyl(dimethyl)azaniumyl]pentyl]-dimethylazanium?
hydroxymethyl-[5-[hydroxymethyl(dimethyl)azaniumyl]pentyl]-dimethylazanium has a molecular weight of 220.36 g/mol, XLogP of 0.21, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxymethyl-[5-[hydroxymethyl(dimethyl)azaniumyl]pentyl]-dimethylazanium is sourced from PubChem (CID 59782516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).