trimethyl-[10-(trimethylazaniumyl)decyl]azanium

C16H38N2+2 — CID 2968

IUPACtrimethyl-[10-(trimethylazaniumyl)decyl]azanium
SMILESC[N+](C)(C)CCCCCCCCCC[N+](C)(C)C
InChIInChI=1S/C16H38N2/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6/h7-16H2,1-6H3/q+2
InChIKeyMTCUAOILFDZKCO-UHFFFAOYSA-N
MW258.49 g/mol
LogP3.52
Rot. Bonds11

About trimethyl-[10-(trimethylazaniumyl)decyl]azanium

trimethyl-[10-(trimethylazaniumyl)decyl]azanium (PubChem CID 2968) has the molecular formula C16H38N2+2 and a molecular weight of 258.49 g/mol. Its IUPAC name is trimethyl-[10-(trimethylazaniumyl)decyl]azanium.

Molecular Properties

Compound Nametrimethyl-[10-(trimethylazaniumyl)decyl]azanium
PubChem CID2968
Molecular FormulaC16H38N2+2
Molecular Weight258.49 g/mol
Exact Mass258.30
IUPAC Nametrimethyl-[10-(trimethylazaniumyl)decyl]azanium
SMILESC[N+](C)(C)CCCCCCCCCC[N+](C)(C)C
InChIInChI=1S/C16H38N2/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6/h7-16H2,1-6H3/q+2
InChIKeyMTCUAOILFDZKCO-UHFFFAOYSA-N
XLogP3.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.49
LogP ≤ 53.52
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'}

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Related Compounds

Didecyldimethylammonium Chloride
CID 23558
Hexadecyltrimethylammonium Bromide
CID 5974
Decamethonium dibromide
CID 10921
Hexadecyltrimethylammonium chloride
CID 8154
Dodecyltrimethylammonium chloride
CID 8152
Stearyltrimethylammonium chloride
CID 8155
Dodecyltrimethylammonium bromide
CID 14249
Tetradecyltrimethylammonium chloride
CID 20708
Dimethyloctadecylamine
CID 15365
Cetyltrimethylammonium
CID 2681
Tetradecyltrimethylammonium bromide
CID 14250
Dioctyldimethylammonium chloride
CID 62581

Frequently Asked Questions

What is the IUPAC name of trimethyl-[10-(trimethylazaniumyl)decyl]azanium?
The IUPAC name of trimethyl-[10-(trimethylazaniumyl)decyl]azanium (CID 2968) is trimethyl-[10-(trimethylazaniumyl)decyl]azanium.
What is the SMILES notation for trimethyl-[10-(trimethylazaniumyl)decyl]azanium?
The canonical SMILES for trimethyl-[10-(trimethylazaniumyl)decyl]azanium is C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C.
What is the InChIKey of trimethyl-[10-(trimethylazaniumyl)decyl]azanium?
The InChIKey is MTCUAOILFDZKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H38N2/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6/h7-16H2,1-6H3/q+2.
What are the key properties of trimethyl-[10-(trimethylazaniumyl)decyl]azanium?
trimethyl-[10-(trimethylazaniumyl)decyl]azanium has a molecular weight of 258.49 g/mol, XLogP of 3.52, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[10-(trimethylazaniumyl)decyl]azanium is sourced from PubChem (CID 2968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).