aminomethyl-dimethyl-[6-(trimethylazaniumyl)hexyl]azanium

C12H31N3+2 — CID 173080790

IUPACaminomethyl-dimethyl-[6-(trimethylazaniumyl)hexyl]azanium
SMILESC[N+](C)(C)CCCCCC[N+](C)(C)CN
InChIInChI=1S/C12H31N3/c1-14(2,3)10-8-6-7-9-11-15(4,5)12-13/h6-13H2,1-5H3/q+2
InChIKeyKEVJXIHLVMZUCC-UHFFFAOYSA-N
MW217.40 g/mol
LogP1.25
Rot. Bonds8

About aminomethyl-dimethyl-[6-(trimethylazaniumyl)hexyl]azanium

aminomethyl-dimethyl-[6-(trimethylazaniumyl)hexyl]azanium (PubChem CID 173080790) has the molecular formula C12H31N3+2 and a molecular weight of 217.40 g/mol. Its IUPAC name is aminomethyl-dimethyl-[6-(trimethylazaniumyl)hexyl]azanium.

Molecular Properties

Compound Nameaminomethyl-dimethyl-[6-(trimethylazaniumyl)hexyl]azanium
PubChem CID173080790
Molecular FormulaC12H31N3+2
Molecular Weight217.40 g/mol
Exact Mass217.25
IUPAC Nameaminomethyl-dimethyl-[6-(trimethylazaniumyl)hexyl]azanium
SMILESC[N+](C)(C)CCCCCC[N+](C)(C)CN
InChIInChI=1S/C12H31N3/c1-14(2,3)10-8-6-7-9-11-15(4,5)12-13/h6-13H2,1-5H3/q+2
InChIKeyKEVJXIHLVMZUCC-UHFFFAOYSA-N
XLogP1.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.40
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

trimethyl-[20-(trimethylazaniumyl)icosyl]azanium
CID 10318705
17-aminoheptadecyl(trimethyl)azanium
CID 155769924
19-aminononadecyl(trimethyl)azanium
CID 155769982
14-aminotetradecyl(trimethyl)azanium
CID 155769967
15-aminopentadecyl(trimethyl)azanium
CID 155769921
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
aminomethyl-dimethyl-(3-sulfanylpropyl)azanium
CID 126665050
12-aminododecyl(trimethyl)azanium;azane;hydrate
CID 174892223
trimethyl-[4-(trimethylazaniumyl)butyl]azanium dihydroxide
CID 12712148

Frequently Asked Questions

What is the IUPAC name of aminomethyl-dimethyl-[6-(trimethylazaniumyl)hexyl]azanium?
The IUPAC name of aminomethyl-dimethyl-[6-(trimethylazaniumyl)hexyl]azanium (CID 173080790) is aminomethyl-dimethyl-[6-(trimethylazaniumyl)hexyl]azanium.
What is the SMILES notation for aminomethyl-dimethyl-[6-(trimethylazaniumyl)hexyl]azanium?
The canonical SMILES for aminomethyl-dimethyl-[6-(trimethylazaniumyl)hexyl]azanium is C[N+](C)(C)CCCCCC[N+](C)(C)CN.
What is the InChIKey of aminomethyl-dimethyl-[6-(trimethylazaniumyl)hexyl]azanium?
The InChIKey is KEVJXIHLVMZUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H31N3/c1-14(2,3)10-8-6-7-9-11-15(4,5)12-13/h6-13H2,1-5H3/q+2.
What are the key properties of aminomethyl-dimethyl-[6-(trimethylazaniumyl)hexyl]azanium?
aminomethyl-dimethyl-[6-(trimethylazaniumyl)hexyl]azanium has a molecular weight of 217.40 g/mol, XLogP of 1.25, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for aminomethyl-dimethyl-[6-(trimethylazaniumyl)hexyl]azanium is sourced from PubChem (CID 173080790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).