N,N-dimethyloctan-1-amine;2-(2-hydroxyethoxy)ethyl-dimethyl-octylazanium;chloride

C24H55ClN2O2 — CID 87730340

IUPACN,N-dimethyloctan-1-amine;2-(2-hydroxyethoxy)ethyl-dimethyl-octylazanium;chloride
SMILESCCCCCCCCN(C)C.CCCCCCCC[N+](C)(C)CCOCCO.[Cl-]
InChIInChI=1S/C14H32NO2.C10H23N.ClH/c1-4-5-6-7-8-9-10-15(2,3)11-13-17-14-12-16;1-4-5-6-7-8-9-10-11(2)3;/h16H,4-14H2,1-3H3;4-10H2,1-3H3;1H/q+1;;/p-1
InChIKeyNNAKTOIFZCTDNH-UHFFFAOYSA-M
MW439.17 g/mol
LogP2.34
Rot. Bonds19

About N,N-dimethyloctan-1-amine;2-(2-hydroxyethoxy)ethyl-dimethyl-octylazanium;chloride

N,N-dimethyloctan-1-amine;2-(2-hydroxyethoxy)ethyl-dimethyl-octylazanium;chloride (PubChem CID 87730340) has the molecular formula C24H55ClN2O2 and a molecular weight of 439.17 g/mol. Its IUPAC name is N,N-dimethyloctan-1-amine;2-(2-hydroxyethoxy)ethyl-dimethyl-octylazanium;chloride.

Molecular Properties

Compound NameN,N-dimethyloctan-1-amine;2-(2-hydroxyethoxy)ethyl-dimethyl-octylazanium;chloride
PubChem CID87730340
Molecular FormulaC24H55ClN2O2
Molecular Weight439.17 g/mol
Exact Mass438.40
IUPAC NameN,N-dimethyloctan-1-amine;2-(2-hydroxyethoxy)ethyl-dimethyl-octylazanium;chloride
SMILESCCCCCCCCN(C)C.CCCCCCCC[N+](C)(C)CCOCCO.[Cl-]
InChIInChI=1S/C14H32NO2.C10H23N.ClH/c1-4-5-6-7-8-9-10-15(2,3)11-13-17-14-12-16;1-4-5-6-7-8-9-10-11(2)3;/h16H,4-14H2,1-3H3;4-10H2,1-3H3;1H/q+1;;/p-1
InChIKeyNNAKTOIFZCTDNH-UHFFFAOYSA-M
XLogP2.34
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.17
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-(2-hydroxyethoxy)ethyl-dimethyl-octadecylazanium
CID 5193628
6-(dimethylamino)hexyl-dodecyl-dimethylazanium
CID 86012356
2-(dimethylamino)ethyl-icosyl-dimethylazanium
CID 72947262
2-(dimethylamino)ethyl-dimethyl-octylazanium
CID 14625803
dodecyl-[2-[2-[dodecyl(dimethyl)azaniumyl]ethoxymethoxy]ethyl]-dimethylazanium
CID 138394683
2-[2-(2-chloroethoxy)ethoxy]ethyl-decyl-dimethylazanium chloride
CID 18527385
decyl-(6-hydroxyhexyl)-dimethylazanium chloride
CID 167454737
bis[10-(dimethylamino)decyl]-dimethylazanium;ethane
CID 163265198
hexadecane;2-(2-hydroxyethoxy)ethanol
CID 87490818
4-hydroxybutyl-[2-[2-[2-[4-hydroxybutyl(dimethyl)azaniumyl]ethoxy]ethoxy]ethyl]-dimethylazanium
CID 153362918
bis(decyl-(2-hydroxyethyl)-dimethylazanium);dichloride;hydrobromide
CID 172747329
2-[2-(2-chloroethoxy)ethoxy]ethyl-decyl-dimethylazanium
CID 5176685

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyloctan-1-amine;2-(2-hydroxyethoxy)ethyl-dimethyl-octylazanium;chloride?
The IUPAC name of N,N-dimethyloctan-1-amine;2-(2-hydroxyethoxy)ethyl-dimethyl-octylazanium;chloride (CID 87730340) is N,N-dimethyloctan-1-amine;2-(2-hydroxyethoxy)ethyl-dimethyl-octylazanium;chloride.
What is the SMILES notation for N,N-dimethyloctan-1-amine;2-(2-hydroxyethoxy)ethyl-dimethyl-octylazanium;chloride?
The canonical SMILES for N,N-dimethyloctan-1-amine;2-(2-hydroxyethoxy)ethyl-dimethyl-octylazanium;chloride is CCCCCCCCN(C)C.CCCCCCCC[N+](C)(C)CCOCCO.[Cl-].
What is the InChIKey of N,N-dimethyloctan-1-amine;2-(2-hydroxyethoxy)ethyl-dimethyl-octylazanium;chloride?
The InChIKey is NNAKTOIFZCTDNH-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H32NO2.C10H23N.ClH/c1-4-5-6-7-8-9-10-15(2,3)11-13-17-14-12-16;1-4-5-6-7-8-9-10-11(2)3;/h16H,4-14H2,1-3H3;4-10H2,1-3H3;1H/q+1;;/p-1.
What are the key properties of N,N-dimethyloctan-1-amine;2-(2-hydroxyethoxy)ethyl-dimethyl-octylazanium;chloride?
N,N-dimethyloctan-1-amine;2-(2-hydroxyethoxy)ethyl-dimethyl-octylazanium;chloride has a molecular weight of 439.17 g/mol, XLogP of 2.34, 19 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyloctan-1-amine;2-(2-hydroxyethoxy)ethyl-dimethyl-octylazanium;chloride is sourced from PubChem (CID 87730340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).