azane;2-(dimethylamino)ethyl-trimethylazanium;chloride

C7H25ClN4 — CID 173362766

IUPACazane;2-(dimethylamino)ethyl-trimethylazanium;chloride
SMILESCN(C)CC[N+](C)(C)C.N.N.[Cl-]
InChIInChI=1S/C7H19N2.ClH.2H3N/c1-8(2)6-7-9(3,4)5;;;/h6-7H2,1-5H3;1H;2*1H3/q+1;;;/p-1
InChIKeyQQIPYEUMQMRBIW-UHFFFAOYSA-M
MW200.76 g/mol
LogP-2.42
Rot. Bonds3

About azane;2-(dimethylamino)ethyl-trimethylazanium;chloride

azane;2-(dimethylamino)ethyl-trimethylazanium;chloride (PubChem CID 173362766) has the molecular formula C7H25ClN4 and a molecular weight of 200.76 g/mol. Its IUPAC name is azane;2-(dimethylamino)ethyl-trimethylazanium;chloride.

Molecular Properties

Compound Nameazane;2-(dimethylamino)ethyl-trimethylazanium;chloride
PubChem CID173362766
Molecular FormulaC7H25ClN4
Molecular Weight200.76 g/mol
Exact Mass200.18
IUPAC Nameazane;2-(dimethylamino)ethyl-trimethylazanium;chloride
SMILESCN(C)CC[N+](C)(C)C.N.N.[Cl-]
InChIInChI=1S/C7H19N2.ClH.2H3N/c1-8(2)6-7-9(3,4)5;;;/h6-7H2,1-5H3;1H;2*1H3/q+1;;;/p-1
InChIKeyQQIPYEUMQMRBIW-UHFFFAOYSA-M
XLogP-2.42
TPSA73.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.76
LogP ≤ 5-2.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(2-(dimethylamino)ethyl-trimethylazanium);trichloro-(2,2,3,3,4,4,5,5,6,6-decachloro-1-trichlorosilylhexasilinan-1-yl)silane;dichloride
CID 139137630
CID 175787026
CID 175787026
N,N,N',N'-tetramethylethane-1,2-diamine;tin(2+);dichloride
CID 174892768
bis[2-(dimethylamino)ethyl]-methanidyl-methylazanium;methanone;molybdenum
CID 162699623
2-[3-(dimethylamino)propoxymethoxy]ethyl-trimethylazanium
CID 118041121
2-[di(propan-2-yl)amino]ethyl-trimethylazanium
CID 91110629
trimethyl(2-oxonioethyl)azanium
CID 21257979
dicopper;bis(N,N,N',N'-tetramethylethane-1,2-diamine);dichloride;dihydrate
CID 162639278
copper(1+);bis(N,N,N',N'-tetramethylethane-1,2-diamine);chloride;hydrate
CID 173148949
6-azaniumylhexyl(trimethyl)azanium;6-(dimethylamino)hexyl-trimethylazanium;bromide;diiodide
CID 157200048
2-[formyl-[2-(trimethylazaniumyl)ethyl]amino]ethyl-trimethylazanium dibromide
CID 131880850
2-(dimethylamino)ethyl-icosyl-dimethylazanium
CID 72947262

Frequently Asked Questions

What is the IUPAC name of azane;2-(dimethylamino)ethyl-trimethylazanium;chloride?
The IUPAC name of azane;2-(dimethylamino)ethyl-trimethylazanium;chloride (CID 173362766) is azane;2-(dimethylamino)ethyl-trimethylazanium;chloride.
What is the SMILES notation for azane;2-(dimethylamino)ethyl-trimethylazanium;chloride?
The canonical SMILES for azane;2-(dimethylamino)ethyl-trimethylazanium;chloride is CN(C)CC[N+](C)(C)C.N.N.[Cl-].
What is the InChIKey of azane;2-(dimethylamino)ethyl-trimethylazanium;chloride?
The InChIKey is QQIPYEUMQMRBIW-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H19N2.ClH.2H3N/c1-8(2)6-7-9(3,4)5;;;/h6-7H2,1-5H3;1H;2*1H3/q+1;;;/p-1.
What are the key properties of azane;2-(dimethylamino)ethyl-trimethylazanium;chloride?
azane;2-(dimethylamino)ethyl-trimethylazanium;chloride has a molecular weight of 200.76 g/mol, XLogP of -2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-(dimethylamino)ethyl-trimethylazanium;chloride is sourced from PubChem (CID 173362766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).