2-[2-[2-(dimethylamino)ethyl-methylamino]ethyl-methylamino]ethyl-ethyl-dimethylazanium

C14H35N4+ — CID 123775918

IUPAC2-[2-[2-(dimethylamino)ethyl-methylamino]ethyl-methylamino]ethyl-ethyl-dimethylazanium
SMILESCC[N+](C)(C)CCN(C)CCN(C)CCN(C)C
InChIInChI=1S/C14H35N4/c1-8-18(6,7)14-13-17(5)12-11-16(4)10-9-15(2)3/h8-14H2,1-7H3/q+1
InChIKeyHIOQWKVOGLXABZ-UHFFFAOYSA-N
MW259.46 g/mol
LogP0.51
Rot. Bonds10

About 2-[2-[2-(dimethylamino)ethyl-methylamino]ethyl-methylamino]ethyl-ethyl-dimethylazanium

2-[2-[2-(dimethylamino)ethyl-methylamino]ethyl-methylamino]ethyl-ethyl-dimethylazanium (PubChem CID 123775918) has the molecular formula C14H35N4+ and a molecular weight of 259.46 g/mol. Its IUPAC name is 2-[2-[2-(dimethylamino)ethyl-methylamino]ethyl-methylamino]ethyl-ethyl-dimethylazanium.

Molecular Properties

Compound Name2-[2-[2-(dimethylamino)ethyl-methylamino]ethyl-methylamino]ethyl-ethyl-dimethylazanium
PubChem CID123775918
Molecular FormulaC14H35N4+
Molecular Weight259.46 g/mol
Exact Mass259.29
IUPAC Name2-[2-[2-(dimethylamino)ethyl-methylamino]ethyl-methylamino]ethyl-ethyl-dimethylazanium
SMILESCC[N+](C)(C)CCN(C)CCN(C)CCN(C)C
InChIInChI=1S/C14H35N4/c1-8-18(6,7)14-13-17(5)12-11-16(4)10-9-15(2)3/h8-14H2,1-7H3/q+1
InChIKeyHIOQWKVOGLXABZ-UHFFFAOYSA-N
XLogP0.51
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.46
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N',N'-bis[2-(dimethylamino)ethyl]-N,N-dimethylethane-1,2-diamine;N'-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-N,N,N'-trimethylethane-1,2-diamine;N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine;N,N,N',N'-tetramethylethane-1,2-diamine
CID 163585742
dodecyl-[2-[2-[2-[dodecyl(dimethyl)azaniumyl]ethyl-methylamino]ethyl-methylamino]ethyl]-dimethylazanium dibromide
CID 118721070
2-(dimethylamino)ethyl-ethyl-dimethylazanium;methane;2,2,2-trifluoroacetate
CID 159986541
propane;N,N,N'-trimethyl-N'-propylethane-1,2-diamine
CID 144610913
2-[2-[dimethyl(tridecyl)azaniumyl]ethyl-methylamino]ethyl-dimethyl-tridecylazanium
CID 175684926
N,N'-bis[2-(dimethylamino)ethyl]-N,N'-dimethylpropane-1,3-diamine
CID 547219
dichlorocopper;N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine
CID 15303380
ethyl-[4-[ethyl(dimethyl)azaniumyl]butyl]-dimethylazanium
CID 25995
2-(dimethylamino)ethyl-icosyl-dimethylazanium
CID 72947262
2-(dimethylamino)ethyl-dimethyl-octylazanium
CID 14625803
bis[10-(dimethylamino)decyl]-dimethylazanium;ethane
CID 163265198
[2-(dimethylamino)ethyl-methylamino]methanol;ethane
CID 145172479

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(dimethylamino)ethyl-methylamino]ethyl-methylamino]ethyl-ethyl-dimethylazanium?
The IUPAC name of 2-[2-[2-(dimethylamino)ethyl-methylamino]ethyl-methylamino]ethyl-ethyl-dimethylazanium (CID 123775918) is 2-[2-[2-(dimethylamino)ethyl-methylamino]ethyl-methylamino]ethyl-ethyl-dimethylazanium.
What is the SMILES notation for 2-[2-[2-(dimethylamino)ethyl-methylamino]ethyl-methylamino]ethyl-ethyl-dimethylazanium?
The canonical SMILES for 2-[2-[2-(dimethylamino)ethyl-methylamino]ethyl-methylamino]ethyl-ethyl-dimethylazanium is CC[N+](C)(C)CCN(C)CCN(C)CCN(C)C.
What is the InChIKey of 2-[2-[2-(dimethylamino)ethyl-methylamino]ethyl-methylamino]ethyl-ethyl-dimethylazanium?
The InChIKey is HIOQWKVOGLXABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H35N4/c1-8-18(6,7)14-13-17(5)12-11-16(4)10-9-15(2)3/h8-14H2,1-7H3/q+1.
What are the key properties of 2-[2-[2-(dimethylamino)ethyl-methylamino]ethyl-methylamino]ethyl-ethyl-dimethylazanium?
2-[2-[2-(dimethylamino)ethyl-methylamino]ethyl-methylamino]ethyl-ethyl-dimethylazanium has a molecular weight of 259.46 g/mol, XLogP of 0.51, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(dimethylamino)ethyl-methylamino]ethyl-methylamino]ethyl-ethyl-dimethylazanium is sourced from PubChem (CID 123775918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).