trimethyl-[4-(trimethylazaniumyl)butyl]azanium dihydroxide

C10H28N2O2 — CID 12712148

IUPACtrimethyl-[4-(trimethylazaniumyl)butyl]azanium dihydroxide
SMILESC[N+](C)(C)CCCC[N+](C)(C)C.[OH-].[OH-]
InChIInChI=1S/C10H26N2.2H2O/c1-11(2,3)9-7-8-10-12(4,5)6;;/h7-10H2,1-6H3;2*1H2/q+2;;/p-2
InChIKeyQIWDXZRKQZCINB-UHFFFAOYSA-L
MW208.35 g/mol
LogP0.83
Rot. Bonds5

About trimethyl-[4-(trimethylazaniumyl)butyl]azanium dihydroxide

trimethyl-[4-(trimethylazaniumyl)butyl]azanium dihydroxide (PubChem CID 12712148) has the molecular formula C10H28N2O2 and a molecular weight of 208.35 g/mol. Its IUPAC name is trimethyl-[4-(trimethylazaniumyl)butyl]azanium dihydroxide.

Molecular Properties

Compound Nametrimethyl-[4-(trimethylazaniumyl)butyl]azanium dihydroxide
PubChem CID12712148
Molecular FormulaC10H28N2O2
Molecular Weight208.35 g/mol
Exact Mass208.22
IUPAC Nametrimethyl-[4-(trimethylazaniumyl)butyl]azanium dihydroxide
SMILESC[N+](C)(C)CCCC[N+](C)(C)C.[OH-].[OH-]
InChIInChI=1S/C10H26N2.2H2O/c1-11(2,3)9-7-8-10-12(4,5)6;;/h7-10H2,1-6H3;2*1H2/q+2;;/p-2
InChIKeyQIWDXZRKQZCINB-UHFFFAOYSA-L
XLogP0.83
TPSA60.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

trimethyl-[20-(trimethylazaniumyl)icosyl]azanium
CID 10318705
trimethyl-[5-(trimethylazaniumyl)pentyl]azanium diiodide
CID 21353
tetrakis(trimethyl-[10-(trimethylazaniumyl)decyl]azanium);octaiodide
CID 173060606
trimethyl-[22-(trimethylazaniumyl)docosyl]azanium dichloride
CID 71335073
trimethyl-[10-(trimethylazaniumyl)decyl]azanium dibromide
CID 10921
4-hydroxybutyl(trimethyl)azanium hydroxide
CID 13115255
icosyl(trimethyl)azanium hydroxide
CID 21324498
trimethyl(tetradecyl)azanium
CID 14251
trimethyl(pentyl)azanium iodide
CID 29431
trimethyl(pentatriacontyl)azanium
CID 118223294
trimethyl(nonatetracontyl)azanium
CID 118223275
ethanolate;bis(hexadecyl(trimethyl)azanium);hydroxide
CID 141495738

Frequently Asked Questions

What is the IUPAC name of trimethyl-[4-(trimethylazaniumyl)butyl]azanium dihydroxide?
The IUPAC name of trimethyl-[4-(trimethylazaniumyl)butyl]azanium dihydroxide (CID 12712148) is trimethyl-[4-(trimethylazaniumyl)butyl]azanium dihydroxide.
What is the SMILES notation for trimethyl-[4-(trimethylazaniumyl)butyl]azanium dihydroxide?
The canonical SMILES for trimethyl-[4-(trimethylazaniumyl)butyl]azanium dihydroxide is C[N+](C)(C)CCCC[N+](C)(C)C.[OH-].[OH-].
What is the InChIKey of trimethyl-[4-(trimethylazaniumyl)butyl]azanium dihydroxide?
The InChIKey is QIWDXZRKQZCINB-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H26N2.2H2O/c1-11(2,3)9-7-8-10-12(4,5)6;;/h7-10H2,1-6H3;2*1H2/q+2;;/p-2.
What are the key properties of trimethyl-[4-(trimethylazaniumyl)butyl]azanium dihydroxide?
trimethyl-[4-(trimethylazaniumyl)butyl]azanium dihydroxide has a molecular weight of 208.35 g/mol, XLogP of 0.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-(trimethylazaniumyl)butyl]azanium dihydroxide is sourced from PubChem (CID 12712148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).