[3-[dimethyl(methylaminomethyl)azaniumyl]-2-hydroxypropyl]-trimethylazanium

C10H27N3O+2 — CID 59782628

IUPAC[3-[dimethyl(methylaminomethyl)azaniumyl]-2-hydroxypropyl]-trimethylazanium
SMILESCNC[N+](C)(C)CC(O)C[N+](C)(C)C
InChIInChI=1S/C10H27N3O/c1-11-9-13(5,6)8-10(14)7-12(2,3)4/h10-11,14H,7-9H2,1-6H3/q+2
InChIKeyUJVOLIGOQDWSSR-UHFFFAOYSA-N
MW205.35 g/mol
LogP-0.69
Rot. Bonds6

About [3-[dimethyl(methylaminomethyl)azaniumyl]-2-hydroxypropyl]-trimethylazanium

[3-[dimethyl(methylaminomethyl)azaniumyl]-2-hydroxypropyl]-trimethylazanium (PubChem CID 59782628) has the molecular formula C10H27N3O+2 and a molecular weight of 205.35 g/mol. Its IUPAC name is [3-[dimethyl(methylaminomethyl)azaniumyl]-2-hydroxypropyl]-trimethylazanium.

Molecular Properties

Compound Name[3-[dimethyl(methylaminomethyl)azaniumyl]-2-hydroxypropyl]-trimethylazanium
PubChem CID59782628
Molecular FormulaC10H27N3O+2
Molecular Weight205.35 g/mol
Exact Mass205.21
IUPAC Name[3-[dimethyl(methylaminomethyl)azaniumyl]-2-hydroxypropyl]-trimethylazanium
SMILESCNC[N+](C)(C)CC(O)C[N+](C)(C)C
InChIInChI=1S/C10H27N3O/c1-11-9-13(5,6)8-10(14)7-12(2,3)4/h10-11,14H,7-9H2,1-6H3/q+2
InChIKeyUJVOLIGOQDWSSR-UHFFFAOYSA-N
XLogP-0.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.35
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-[dimethyl(methylaminomethyl)azaniumyl]-2-hydroxypropyl]-trimethylazanium?
The IUPAC name of [3-[dimethyl(methylaminomethyl)azaniumyl]-2-hydroxypropyl]-trimethylazanium (CID 59782628) is [3-[dimethyl(methylaminomethyl)azaniumyl]-2-hydroxypropyl]-trimethylazanium.
What is the SMILES notation for [3-[dimethyl(methylaminomethyl)azaniumyl]-2-hydroxypropyl]-trimethylazanium?
The canonical SMILES for [3-[dimethyl(methylaminomethyl)azaniumyl]-2-hydroxypropyl]-trimethylazanium is CNC[N+](C)(C)CC(O)C[N+](C)(C)C.
What is the InChIKey of [3-[dimethyl(methylaminomethyl)azaniumyl]-2-hydroxypropyl]-trimethylazanium?
The InChIKey is UJVOLIGOQDWSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H27N3O/c1-11-9-13(5,6)8-10(14)7-12(2,3)4/h10-11,14H,7-9H2,1-6H3/q+2.
What are the key properties of [3-[dimethyl(methylaminomethyl)azaniumyl]-2-hydroxypropyl]-trimethylazanium?
[3-[dimethyl(methylaminomethyl)azaniumyl]-2-hydroxypropyl]-trimethylazanium has a molecular weight of 205.35 g/mol, XLogP of -0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[dimethyl(methylaminomethyl)azaniumyl]-2-hydroxypropyl]-trimethylazanium is sourced from PubChem (CID 59782628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).