dibutyl-bis(1-methoxyethyl)azanium

C14H32NO2+ — CID 22415993

IUPACdibutyl-bis(1-methoxyethyl)azanium
SMILESCCCC[N+](CCCC)(C(C)OC)C(C)OC
InChIInChI=1S/C14H32NO2/c1-7-9-11-15(12-10-8-2,13(3)16-5)14(4)17-6/h13-14H,7-12H2,1-6H3/q+1
InChIKeyAZZSOKWELAMSGN-UHFFFAOYSA-N
MW246.41 g/mol
LogP3.39
Rot. Bonds10

About dibutyl-bis(1-methoxyethyl)azanium

dibutyl-bis(1-methoxyethyl)azanium (PubChem CID 22415993) has the molecular formula C14H32NO2+ and a molecular weight of 246.41 g/mol. Its IUPAC name is dibutyl-bis(1-methoxyethyl)azanium.

Molecular Properties

Compound Namedibutyl-bis(1-methoxyethyl)azanium
PubChem CID22415993
Molecular FormulaC14H32NO2+
Molecular Weight246.41 g/mol
Exact Mass246.24
IUPAC Namedibutyl-bis(1-methoxyethyl)azanium
SMILESCCCC[N+](CCCC)(C(C)OC)C(C)OC
InChIInChI=1S/C14H32NO2/c1-7-9-11-15(12-10-8-2,13(3)16-5)14(4)17-6/h13-14H,7-12H2,1-6H3/q+1
InChIKeyAZZSOKWELAMSGN-UHFFFAOYSA-N
XLogP3.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.41
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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

N-Butyl-N-((triethoxysilyl)methyl)butan-1-amine
CID 186203
Tetrabutylammonium ethoxide
CID 14417848
N,N-Bis(ethoxymethyl)butan-1-amine
CID 12398978
Tetrabutylammonium butoxide
CID 20356620
N,N-bis(methoxymethyl)butan-1-amine
CID 90894522
N,N-bis(ethoxymethyl)propan-1-amine
CID 91453246
4-[Ethyl(3-methoxypropyl)amino]butyl hypofluorite
CID 156884749
N,N-dibutyl-4-methoxybutan-1-amine
CID 265279
N-butyl-N-(ethoxymethyl)butan-1-amine
CID 13285800
N,N-dibutyl-4-methoxybut-2-yn-1-amine
CID 13452392
N-(ethoxymethyl)-N-propylpropan-1-amine
CID 13573568
Ethyl sulfate;tributyl(methyl)azanium
CID 18442122

Frequently Asked Questions

What is the IUPAC name of dibutyl-bis(1-methoxyethyl)azanium?
The IUPAC name of dibutyl-bis(1-methoxyethyl)azanium (CID 22415993) is dibutyl-bis(1-methoxyethyl)azanium.
What is the SMILES notation for dibutyl-bis(1-methoxyethyl)azanium?
The canonical SMILES for dibutyl-bis(1-methoxyethyl)azanium is CCCC[N+](CCCC)(C(C)OC)C(C)OC.
What is the InChIKey of dibutyl-bis(1-methoxyethyl)azanium?
The InChIKey is AZZSOKWELAMSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32NO2/c1-7-9-11-15(12-10-8-2,13(3)16-5)14(4)17-6/h13-14H,7-12H2,1-6H3/q+1.
What are the key properties of dibutyl-bis(1-methoxyethyl)azanium?
dibutyl-bis(1-methoxyethyl)azanium has a molecular weight of 246.41 g/mol, XLogP of 3.39, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-bis(1-methoxyethyl)azanium is sourced from PubChem (CID 22415993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).