azane;N,N-dimethylmethanamine;octyl hydrogen sulfate

C11H30N2O4S — CID 174666846

IUPACazane;N,N-dimethylmethanamine;octyl hydrogen sulfate
SMILESCCCCCCCCOS(=O)(=O)O.CN(C)C.N
InChIInChI=1S/C8H18O4S.C3H9N.H3N/c1-2-3-4-5-6-7-8-12-13(9,10)11;1-4(2)3;/h2-8H2,1H3,(H,9,10,11);1-3H3;1H3
InChIKeyXDMHSQJMFJTKHJ-UHFFFAOYSA-N
MW286.44 g/mol
LogP2.51
Rot. Bonds8

About azane;N,N-dimethylmethanamine;octyl hydrogen sulfate

azane;N,N-dimethylmethanamine;octyl hydrogen sulfate (PubChem CID 174666846) has the molecular formula C11H30N2O4S and a molecular weight of 286.44 g/mol. Its IUPAC name is azane;N,N-dimethylmethanamine;octyl hydrogen sulfate.

Molecular Properties

Compound Nameazane;N,N-dimethylmethanamine;octyl hydrogen sulfate
PubChem CID174666846
Molecular FormulaC11H30N2O4S
Molecular Weight286.44 g/mol
Exact Mass286.19
IUPAC Nameazane;N,N-dimethylmethanamine;octyl hydrogen sulfate
SMILESCCCCCCCCOS(=O)(=O)O.CN(C)C.N
InChIInChI=1S/C8H18O4S.C3H9N.H3N/c1-2-3-4-5-6-7-8-12-13(9,10)11;1-4(2)3;/h2-8H2,1H3,(H,9,10,11);1-3H3;1H3
InChIKeyXDMHSQJMFJTKHJ-UHFFFAOYSA-N
XLogP2.51
TPSA101.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

decyl hydrogen sulfate;dodecyl hydrogen sulfate
CID 87746197
Sodiumn-tridecylsulphate
CID 131877406
CID 87182380
CID 87182380
tridecyl hydrogen sulfate;hydrate
CID 88668618
magnesium icosyl hydrogen sulfate
CID 21125099
alumane;octadecyl hydrogen sulfate
CID 175420064
azanium decyl hydrogen sulfate
CID 21115891
CID 170845374
CID 170845374
acetonitrile;N,N-dimethylmethanamine;dodecyl hydrogen sulfate
CID 173350855
sodium;dodecyl hydrogen sulfate;hydride
CID 173193135
butyl hydrogen sulfate;heptane
CID 175360663
potassium;dodecyl hydrogen sulfate;propane
CID 175112057

Frequently Asked Questions

What is the IUPAC name of azane;N,N-dimethylmethanamine;octyl hydrogen sulfate?
The IUPAC name of azane;N,N-dimethylmethanamine;octyl hydrogen sulfate (CID 174666846) is azane;N,N-dimethylmethanamine;octyl hydrogen sulfate.
What is the SMILES notation for azane;N,N-dimethylmethanamine;octyl hydrogen sulfate?
The canonical SMILES for azane;N,N-dimethylmethanamine;octyl hydrogen sulfate is CCCCCCCCOS(=O)(=O)O.CN(C)C.N.
What is the InChIKey of azane;N,N-dimethylmethanamine;octyl hydrogen sulfate?
The InChIKey is XDMHSQJMFJTKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O4S.C3H9N.H3N/c1-2-3-4-5-6-7-8-12-13(9,10)11;1-4(2)3;/h2-8H2,1H3,(H,9,10,11);1-3H3;1H3.
What are the key properties of azane;N,N-dimethylmethanamine;octyl hydrogen sulfate?
azane;N,N-dimethylmethanamine;octyl hydrogen sulfate has a molecular weight of 286.44 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;N,N-dimethylmethanamine;octyl hydrogen sulfate is sourced from PubChem (CID 174666846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).