trimethyl-[3-[methyl-bis(4-methylpentyl)azaniumyl]propyl]azanium

C19H44N2+2 — CID 58371377

IUPACtrimethyl-[3-[methyl-bis(4-methylpentyl)azaniumyl]propyl]azanium
SMILESCC(C)CCC[N+](C)(CCCC(C)C)CCC[N+](C)(C)C
InChIInChI=1S/C19H44N2/c1-18(2)12-9-15-21(8,16-10-13-19(3)4)17-11-14-20(5,6)7/h18-19H,9-17H2,1-8H3/q+2
InChIKeyVMCIJBRHHLVNGJ-UHFFFAOYSA-N
MW300.58 g/mol
LogP4.40
Rot. Bonds12

About trimethyl-[3-[methyl-bis(4-methylpentyl)azaniumyl]propyl]azanium

trimethyl-[3-[methyl-bis(4-methylpentyl)azaniumyl]propyl]azanium (PubChem CID 58371377) has the molecular formula C19H44N2+2 and a molecular weight of 300.58 g/mol. Its IUPAC name is trimethyl-[3-[methyl-bis(4-methylpentyl)azaniumyl]propyl]azanium.

Molecular Properties

Compound Nametrimethyl-[3-[methyl-bis(4-methylpentyl)azaniumyl]propyl]azanium
PubChem CID58371377
Molecular FormulaC19H44N2+2
Molecular Weight300.58 g/mol
Exact Mass300.35
IUPAC Nametrimethyl-[3-[methyl-bis(4-methylpentyl)azaniumyl]propyl]azanium
SMILESCC(C)CCC[N+](C)(CCCC(C)C)CCC[N+](C)(C)C
InChIInChI=1S/C19H44N2/c1-18(2)12-9-15-21(8,16-10-13-19(3)4)17-11-14-20(5,6)7/h18-19H,9-17H2,1-8H3/q+2
InChIKeyVMCIJBRHHLVNGJ-UHFFFAOYSA-N
XLogP4.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.58
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

trimethyl(4-methylpentyl)azanium chloride
CID 86159928
methyl-tris(8-methylnonyl)azanium
CID 19958085
methyl-(4-methylpentyl)-di(undecyl)azanium
CID 167409272
[(4R,5S)-4,5-dihydroxyhexyl]-trimethylazanium iodide
CID 11055790
5-[butyl-[3-[4-methylpentyl-[5-(trimethylazaniumyl)pentyl]amino]propyl]amino]pentyl-trimethylazanium
CID 89107362
N,N,4,8,12-pentamethyltridecan-1-amine oxide
CID 58133406
dimethyl-bis(16-methylheptadecyl)azanium chloride
CID 23440613
dimethyl-bis(7-methyloctyl)azanium chloride
CID 18689480
dimethyl-bis(6-methylheptyl)azanium chloride
CID 86159074
bis(2-hydroxyethyl)-methyl-[3-(8-methylnonoxy)propyl]azanium chloride
CID 15775232
2,22-dimethyltricosane
CID 58100191
trimethyl-[4-(trimethylazaniumyl)butyl]azanium dihydroxide
CID 12712148

Frequently Asked Questions

What is the IUPAC name of trimethyl-[3-[methyl-bis(4-methylpentyl)azaniumyl]propyl]azanium?
The IUPAC name of trimethyl-[3-[methyl-bis(4-methylpentyl)azaniumyl]propyl]azanium (CID 58371377) is trimethyl-[3-[methyl-bis(4-methylpentyl)azaniumyl]propyl]azanium.
What is the SMILES notation for trimethyl-[3-[methyl-bis(4-methylpentyl)azaniumyl]propyl]azanium?
The canonical SMILES for trimethyl-[3-[methyl-bis(4-methylpentyl)azaniumyl]propyl]azanium is CC(C)CCC[N+](C)(CCCC(C)C)CCC[N+](C)(C)C.
What is the InChIKey of trimethyl-[3-[methyl-bis(4-methylpentyl)azaniumyl]propyl]azanium?
The InChIKey is VMCIJBRHHLVNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H44N2/c1-18(2)12-9-15-21(8,16-10-13-19(3)4)17-11-14-20(5,6)7/h18-19H,9-17H2,1-8H3/q+2.
What are the key properties of trimethyl-[3-[methyl-bis(4-methylpentyl)azaniumyl]propyl]azanium?
trimethyl-[3-[methyl-bis(4-methylpentyl)azaniumyl]propyl]azanium has a molecular weight of 300.58 g/mol, XLogP of 4.40, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[3-[methyl-bis(4-methylpentyl)azaniumyl]propyl]azanium is sourced from PubChem (CID 58371377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).