trimethyl-[6-(trimethylazaniumyl)hexyl]azanium

C12H30N2+2 — CID 3604

💊View drug profile → hexamethonium
IUPACtrimethyl-[6-(trimethylazaniumyl)hexyl]azanium
SMILESC[N+](C)(C)CCCCCC[N+](C)(C)C
InChIInChI=1S/C12H30N2/c1-13(2,3)11-9-7-8-10-12-14(4,5)6/h7-12H2,1-6H3/q+2
InChIKeyVZJFGSRCJCXDSG-UHFFFAOYSA-N
MW202.39 g/mol
LogP1.96
Rot. Bonds7

About trimethyl-[6-(trimethylazaniumyl)hexyl]azanium

trimethyl-[6-(trimethylazaniumyl)hexyl]azanium (PubChem CID 3604) has the molecular formula C12H30N2+2 and a molecular weight of 202.39 g/mol. Its IUPAC name is trimethyl-[6-(trimethylazaniumyl)hexyl]azanium.

Molecular Properties

Compound Nametrimethyl-[6-(trimethylazaniumyl)hexyl]azanium
PubChem CID3604
Molecular FormulaC12H30N2+2
Molecular Weight202.39 g/mol
Exact Mass202.24
IUPAC Nametrimethyl-[6-(trimethylazaniumyl)hexyl]azanium
SMILESC[N+](C)(C)CCCCCC[N+](C)(C)C
InChIInChI=1S/C12H30N2/c1-13(2,3)11-9-7-8-10-12-14(4,5)6/h7-12H2,1-6H3/q+2
InChIKeyVZJFGSRCJCXDSG-UHFFFAOYSA-N
XLogP1.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.39
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze trimethyl-[6-(trimethylazaniumyl)hexyl]azanium 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

Decamethonium
CID 2968
Hexamethonium Bromide
CID 5938
Hexamethonium Chloride
CID 93550
Decyltrimethylammonium bromide
CID 16388
Dimethyloctylamine
CID 16224
Lauryldimethylamine
CID 8168
Tetramethylhexamethylenediamine
CID 8097
Pentamethonium Bromide
CID 10919
Triamylamine
CID 12133
Tetramethylputrescine
CID 66074
N,N,N',N'-Tetrabutylhexane-1,6-diamine
CID 94377
Nonyltrimethylammonium bromide
CID 74750

Frequently Asked Questions

What is the IUPAC name of trimethyl-[6-(trimethylazaniumyl)hexyl]azanium?
The IUPAC name of trimethyl-[6-(trimethylazaniumyl)hexyl]azanium (CID 3604) is trimethyl-[6-(trimethylazaniumyl)hexyl]azanium.
What is the SMILES notation for trimethyl-[6-(trimethylazaniumyl)hexyl]azanium?
The canonical SMILES for trimethyl-[6-(trimethylazaniumyl)hexyl]azanium is C[N+](C)(C)CCCCCC[N+](C)(C)C.
What is the InChIKey of trimethyl-[6-(trimethylazaniumyl)hexyl]azanium?
The InChIKey is VZJFGSRCJCXDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30N2/c1-13(2,3)11-9-7-8-10-12-14(4,5)6/h7-12H2,1-6H3/q+2.
What are the key properties of trimethyl-[6-(trimethylazaniumyl)hexyl]azanium?
trimethyl-[6-(trimethylazaniumyl)hexyl]azanium has a molecular weight of 202.39 g/mol, XLogP of 1.96, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[6-(trimethylazaniumyl)hexyl]azanium is sourced from PubChem (CID 3604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).