trimethyl-[7-(2-methylbutylazaniumyl)heptyl]azanium

C15H36N2+2 — CID 176865723

IUPACtrimethyl-[7-(2-methylbutylazaniumyl)heptyl]azanium
SMILESCCC(C)C[NH2+]CCCCCCC[N+](C)(C)C
InChIInChI=1S/C15H35N2/c1-6-15(2)14-16-12-10-8-7-9-11-13-17(3,4)5/h15-16H,6-14H2,1-5H3/q+1/p+1
InChIKeyJDRGZEDHZAARBC-UHFFFAOYSA-O
MW244.47 g/mol
LogP2.25
Rot. Bonds11

About trimethyl-[7-(2-methylbutylazaniumyl)heptyl]azanium

trimethyl-[7-(2-methylbutylazaniumyl)heptyl]azanium (PubChem CID 176865723) has the molecular formula C15H36N2+2 and a molecular weight of 244.47 g/mol. Its IUPAC name is trimethyl-[7-(2-methylbutylazaniumyl)heptyl]azanium.

Molecular Properties

Compound Nametrimethyl-[7-(2-methylbutylazaniumyl)heptyl]azanium
PubChem CID176865723
Molecular FormulaC15H36N2+2
Molecular Weight244.47 g/mol
Exact Mass244.29
IUPAC Nametrimethyl-[7-(2-methylbutylazaniumyl)heptyl]azanium
SMILESCCC(C)C[NH2+]CCCCCCC[N+](C)(C)C
InChIInChI=1S/C15H35N2/c1-6-15(2)14-16-12-10-8-7-9-11-13-17(3,4)5/h15-16H,6-14H2,1-5H3/q+1/p+1
InChIKeyJDRGZEDHZAARBC-UHFFFAOYSA-O
XLogP2.25
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.47
LogP ≤ 52.25
H-Bond Donors ≤ 51
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

6-[[14-(azaniumylmethyl)-6-[(decylazaniumyl)methyl]-10-[[[2-hydroxy-3-(2-methylbutylazaniumyl)propyl]azaniumyl]methyl]-2-methylhexadecyl]azaniumyl]hexyl-trimethylazanium chloride
CID 58757951
trimethyl(7-methylnonyl)azanium
CID 54435403
trimethyl-[20-(trimethylazaniumyl)icosyl]azanium
CID 10318705
2-chloroethyl(2-methylbutyl)azanium chloride
CID 18316300
2-methylpropyl-[6-(2-methylpropylazaniumyl)hexyl]azanium
CID 7020358
trimethyl(15-methyltricosyl)azanium
CID 23293385
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
trimethyl(tetradecyl)azanium
CID 14251
trimethyl(pentatriacontyl)azanium
CID 118223294

Frequently Asked Questions

What is the IUPAC name of trimethyl-[7-(2-methylbutylazaniumyl)heptyl]azanium?
The IUPAC name of trimethyl-[7-(2-methylbutylazaniumyl)heptyl]azanium (CID 176865723) is trimethyl-[7-(2-methylbutylazaniumyl)heptyl]azanium.
What is the SMILES notation for trimethyl-[7-(2-methylbutylazaniumyl)heptyl]azanium?
The canonical SMILES for trimethyl-[7-(2-methylbutylazaniumyl)heptyl]azanium is CCC(C)C[NH2+]CCCCCCC[N+](C)(C)C.
What is the InChIKey of trimethyl-[7-(2-methylbutylazaniumyl)heptyl]azanium?
The InChIKey is JDRGZEDHZAARBC-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H35N2/c1-6-15(2)14-16-12-10-8-7-9-11-13-17(3,4)5/h15-16H,6-14H2,1-5H3/q+1/p+1.
What are the key properties of trimethyl-[7-(2-methylbutylazaniumyl)heptyl]azanium?
trimethyl-[7-(2-methylbutylazaniumyl)heptyl]azanium has a molecular weight of 244.47 g/mol, XLogP of 2.25, 11 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[7-(2-methylbutylazaniumyl)heptyl]azanium is sourced from PubChem (CID 176865723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).