2-[dimethyl(tetradecyl)azaniumyl]ethyl-[5-[2-[dodecyl(dimethyl)azaniumyl]ethyl-dimethylazaniumyl]pentyl]-dimethylazanium;dodecyl-[2-[5-[2-[dodecyl(dimethyl)azaniumyl]ethyl-dimethylazaniumyl]pentyl-dimethylazaniumyl]ethyl]-dimethylazanium

C84H188N8+8 — CID 161173678

IUPAC2-[dimethyl(tetradecyl)azaniumyl]ethyl-[5-[2-[dodecyl(dimethyl)azaniumyl]ethyl-dimethylazaniumyl]pentyl]-dimethylazanium;dodecyl-[2-[5-[2-[dodecyl(dimethyl)azaniumyl]ethyl-dimethylazaniumyl]pentyl-dimethylazaniumyl]ethyl]-dimethylazanium
SMILESCCCCCCCCCCCCCC[N+](C)(C)CC[N+](C)(C)CCCCC[N+](C)(C)CC[N+](C)(C)CCCCCCCCCCCC.CCCCCCCCCCCC[N+](C)(C)CC[N+](C)(C)CCCCC[N+](C)(C)CC[N+](C)(C)CCCCCCCCCCCC
InChIInChI=1S/C43H96N4.C41H92N4/c1-11-13-15-17-19-21-23-24-26-28-30-33-37-45(5,6)41-43-47(9,10)39-35-31-34-38-46(7,8)42-40-44(3,4)36-32-29-27-25-22-20-18-16-14-12-2;1-11-13-15-17-19-21-23-25-27-30-34-42(3,4)38-40-44(7,8)36-32-29-33-37-45(9,10)41-39-43(5,6)35-31-28-26-24-22-20-18-16-14-12-2/h11-43H2,1-10H3;11-41H2,1-10H3/q2*+4
InChIKeyURNDIDXTGOGSKV-UHFFFAOYSA-N
MW1310.48 g/mol
LogP21.39
Rot. Bonds70

About 2-[dimethyl(tetradecyl)azaniumyl]ethyl-[5-[2-[dodecyl(dimethyl)azaniumyl]ethyl-dimethylazaniumyl]pentyl]-dimethylazanium;dodecyl-[2-[5-[2-[dodecyl(dimethyl)azaniumyl]ethyl-dimethylazaniumyl]pentyl-dimethylazaniumyl]ethyl]-dimethylazanium

2-[dimethyl(tetradecyl)azaniumyl]ethyl-[5-[2-[dodecyl(dimethyl)azaniumyl]ethyl-dimethylazaniumyl]pentyl]-dimethylazanium;dodecyl-[2-[5-[2-[dodecyl(dimethyl)azaniumyl]ethyl-dimethylazaniumyl]pentyl-dimethylazaniumyl]ethyl]-dimethylazanium (PubChem CID 161173678) has the molecular formula C84H188N8+8 and a molecular weight of 1310.48 g/mol. Its IUPAC name is 2-[dimethyl(tetradecyl)azaniumyl]ethyl-[5-[2-[dodecyl(dimethyl)azaniumyl]ethyl-dimethylazaniumyl]pentyl]-dimethylazanium;dodecyl-[2-[5-[2-[dodecyl(dimethyl)azaniumyl]ethyl-dimethylazaniumyl]pentyl-dimethylazaniumyl]ethyl]-dimethylazanium.

Molecular Properties

Compound Name2-[dimethyl(tetradecyl)azaniumyl]ethyl-[5-[2-[dodecyl(dimethyl)azaniumyl]ethyl-dimethylazaniumyl]pentyl]-dimethylazanium;dodecyl-[2-[5-[2-[dodecyl(dimethyl)azaniumyl]ethyl-dimethylazaniumyl]pentyl-dimethylazaniumyl]ethyl]-dimethylazanium
PubChem CID161173678
Molecular FormulaC84H188N8+8
Molecular Weight1310.48 g/mol
Exact Mass1309.49
IUPAC Name2-[dimethyl(tetradecyl)azaniumyl]ethyl-[5-[2-[dodecyl(dimethyl)azaniumyl]ethyl-dimethylazaniumyl]pentyl]-dimethylazanium;dodecyl-[2-[5-[2-[dodecyl(dimethyl)azaniumyl]ethyl-dimethylazaniumyl]pentyl-dimethylazaniumyl]ethyl]-dimethylazanium
SMILESCCCCCCCCCCCCCC[N+](C)(C)CC[N+](C)(C)CCCCC[N+](C)(C)CC[N+](C)(C)CCCCCCCCCCCC.CCCCCCCCCCCC[N+](C)(C)CC[N+](C)(C)CCCCC[N+](C)(C)CC[N+](C)(C)CCCCCCCCCCCC
InChIInChI=1S/C43H96N4.C41H92N4/c1-11-13-15-17-19-21-23-24-26-28-30-33-37-45(5,6)41-43-47(9,10)39-35-31-34-38-46(7,8)42-40-44(3,4)36-32-29-27-25-22-20-18-16-14-12-2;1-11-13-15-17-19-21-23-25-27-30-34-42(3,4)38-40-44(7,8)36-32-29-33-37-45(9,10)41-39-43(5,6)35-31-28-26-24-22-20-18-16-14-12-2/h11-43H2,1-10H3;11-41H2,1-10H3/q2*+4
InChIKeyURNDIDXTGOGSKV-UHFFFAOYSA-N
XLogP21.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds70
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001310.48
LogP ≤ 521.39
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 2-[dimethyl(tetradecyl)azaniumyl]ethyl-[5-[2-[dodecyl(dimethyl)azaniumyl]ethyl-dimethylazaniumyl]pentyl]-dimethylazanium;dodecyl-[2-[5-[2-[dodecyl(dimethyl)azaniumyl]ethyl-dimethylazaniumyl]pentyl-dimethylazaniumyl]ethyl]-dimethylazanium with MolForge

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Related Compounds

hexadecyl-[2-[hexadecyl(dimethyl)azaniumyl]ethyl]-dimethylazanium;methane
CID 167589722
dodecyl-[2-[dodecyl(dimethyl)azaniumyl]ethyl]-dimethylazanium;methane
CID 167611622
decyl-dimethyl-tetradecylazanium
CID 13075680
dodecyl-dimethyl-undecylazanium
CID 21491028
icosyl-[6-[icosyl(dimethyl)azaniumyl]hexyl]-dimethylazanium
CID 154725315
heptyl-dimethyl-undecylazanium
CID 122480849
decyl-hexadecyl-dimethylazanium
CID 102585787
dimethyl-octadecyl-tricosylazanium
CID 158669819
decyl-[4-[decyl(dimethyl)azaniumyl]butyl]-dimethylazanium
CID 12958280
decyl-[12-[decyl(dimethyl)azaniumyl]dodecyl]-dimethylazanium
CID 12958288
decyl-heptadecyl-dimethylazanium
CID 22158969
decyl-[5-[decyl(dimethyl)azaniumyl]pentyl]-dimethylazanium
CID 12958282

Frequently Asked Questions

What is the IUPAC name of 2-[dimethyl(tetradecyl)azaniumyl]ethyl-[5-[2-[dodecyl(dimethyl)azaniumyl]ethyl-dimethylazaniumyl]pentyl]-dimethylazanium;dodecyl-[2-[5-[2-[dodecyl(dimethyl)azaniumyl]ethyl-dimethylazaniumyl]pentyl-dimethylazaniumyl]ethyl]-dimethylazanium?
The IUPAC name of 2-[dimethyl(tetradecyl)azaniumyl]ethyl-[5-[2-[dodecyl(dimethyl)azaniumyl]ethyl-dimethylazaniumyl]pentyl]-dimethylazanium;dodecyl-[2-[5-[2-[dodecyl(dimethyl)azaniumyl]ethyl-dimethylazaniumyl]pentyl-dimethylazaniumyl]ethyl]-dimethylazanium (CID 161173678) is 2-[dimethyl(tetradecyl)azaniumyl]ethyl-[5-[2-[dodecyl(dimethyl)azaniumyl]ethyl-dimethylazaniumyl]pentyl]-dimethylazanium;dodecyl-[2-[5-[2-[dodecyl(dimethyl)azaniumyl]ethyl-dimethylazaniumyl]pentyl-dimethylazaniumyl]ethyl]-dimethylazanium.
What is the SMILES notation for 2-[dimethyl(tetradecyl)azaniumyl]ethyl-[5-[2-[dodecyl(dimethyl)azaniumyl]ethyl-dimethylazaniumyl]pentyl]-dimethylazanium;dodecyl-[2-[5-[2-[dodecyl(dimethyl)azaniumyl]ethyl-dimethylazaniumyl]pentyl-dimethylazaniumyl]ethyl]-dimethylazanium?
The canonical SMILES for 2-[dimethyl(tetradecyl)azaniumyl]ethyl-[5-[2-[dodecyl(dimethyl)azaniumyl]ethyl-dimethylazaniumyl]pentyl]-dimethylazanium;dodecyl-[2-[5-[2-[dodecyl(dimethyl)azaniumyl]ethyl-dimethylazaniumyl]pentyl-dimethylazaniumyl]ethyl]-dimethylazanium is CCCCCCCCCCCCCC[N+](C)(C)CC[N+](C)(C)CCCCC[N+](C)(C)CC[N+](C)(C)CCCCCCCCCCCC.CCCCCCCCCCCC[N+](C)(C)CC[N+](C)(C)CCCCC[N+](C)(C)CC[N+](C)(C)CCCCCCCCCCCC.
What is the InChIKey of 2-[dimethyl(tetradecyl)azaniumyl]ethyl-[5-[2-[dodecyl(dimethyl)azaniumyl]ethyl-dimethylazaniumyl]pentyl]-dimethylazanium;dodecyl-[2-[5-[2-[dodecyl(dimethyl)azaniumyl]ethyl-dimethylazaniumyl]pentyl-dimethylazaniumyl]ethyl]-dimethylazanium?
The InChIKey is URNDIDXTGOGSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H96N4.C41H92N4/c1-11-13-15-17-19-21-23-24-26-28-30-33-37-45(5,6)41-43-47(9,10)39-35-31-34-38-46(7,8)42-40-44(3,4)36-32-29-27-25-22-20-18-16-14-12-2;1-11-13-15-17-19-21-23-25-27-30-34-42(3,4)38-40-44(7,8)36-32-29-33-37-45(9,10)41-39-43(5,6)35-31-28-26-24-22-20-18-16-14-12-2/h11-43H2,1-10H3;11-41H2,1-10H3/q2*+4.
What are the key properties of 2-[dimethyl(tetradecyl)azaniumyl]ethyl-[5-[2-[dodecyl(dimethyl)azaniumyl]ethyl-dimethylazaniumyl]pentyl]-dimethylazanium;dodecyl-[2-[5-[2-[dodecyl(dimethyl)azaniumyl]ethyl-dimethylazaniumyl]pentyl-dimethylazaniumyl]ethyl]-dimethylazanium?
2-[dimethyl(tetradecyl)azaniumyl]ethyl-[5-[2-[dodecyl(dimethyl)azaniumyl]ethyl-dimethylazaniumyl]pentyl]-dimethylazanium;dodecyl-[2-[5-[2-[dodecyl(dimethyl)azaniumyl]ethyl-dimethylazaniumyl]pentyl-dimethylazaniumyl]ethyl]-dimethylazanium has a molecular weight of 1310.48 g/mol, XLogP of 21.39, 70 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dimethyl(tetradecyl)azaniumyl]ethyl-[5-[2-[dodecyl(dimethyl)azaniumyl]ethyl-dimethylazaniumyl]pentyl]-dimethylazanium;dodecyl-[2-[5-[2-[dodecyl(dimethyl)azaniumyl]ethyl-dimethylazaniumyl]pentyl-dimethylazaniumyl]ethyl]-dimethylazanium is sourced from PubChem (CID 161173678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).