dodecan-1-amine;2-(2-hydroxyethoxyamino)oxyethanol;sulfuric acid

C16H40N2O8S — CID 175057935

IUPACdodecan-1-amine;2-(2-hydroxyethoxyamino)oxyethanol;sulfuric acid
SMILESCCCCCCCCCCCCN.O=S(=O)(O)O.OCCONOCCO
InChIInChI=1S/C12H27N.C4H11NO4.H2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13;6-1-3-8-5-9-4-2-7;1-5(2,3)4/h2-13H2,1H3;5-7H,1-4H2;(H2,1,2,3,4)
InChIKeyOGIAZSNWCZJYDZ-UHFFFAOYSA-N
MW420.57 g/mol
LogP1.64
Rot. Bonds16

About dodecan-1-amine;2-(2-hydroxyethoxyamino)oxyethanol;sulfuric acid

dodecan-1-amine;2-(2-hydroxyethoxyamino)oxyethanol;sulfuric acid (PubChem CID 175057935) has the molecular formula C16H40N2O8S and a molecular weight of 420.57 g/mol. Its IUPAC name is dodecan-1-amine;2-(2-hydroxyethoxyamino)oxyethanol;sulfuric acid.

Molecular Properties

Compound Namedodecan-1-amine;2-(2-hydroxyethoxyamino)oxyethanol;sulfuric acid
PubChem CID175057935
Molecular FormulaC16H40N2O8S
Molecular Weight420.57 g/mol
Exact Mass420.25
IUPAC Namedodecan-1-amine;2-(2-hydroxyethoxyamino)oxyethanol;sulfuric acid
SMILESCCCCCCCCCCCCN.O=S(=O)(O)O.OCCONOCCO
InChIInChI=1S/C12H27N.C4H11NO4.H2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13;6-1-3-8-5-9-4-2-7;1-5(2,3)4/h2-13H2,1H3;5-7H,1-4H2;(H2,1,2,3,4)
InChIKeyOGIAZSNWCZJYDZ-UHFFFAOYSA-N
XLogP1.64
TPSA171.57 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.57
LogP ≤ 51.64
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

dodecan-1-ol;2-(2-hydroxyethoxyamino)oxyethanol;sulfuric acid
CID 174294727
2-(2-hydroxyethoxyamino)oxyethanol;tetradecyl hydrogen sulfate
CID 87776061
bis(nonan-1-amine);sulfuric acid
CID 3055201
azane;dodecan-1-amine;sulfuric acid
CID 173110292
2-(5-aminopentylamino)oxyethanol
CID 88588722
methyl hydrogen sulfate;octadecan-1-amine
CID 173395931
dodecan-1-amine;dodecyl hydrogen sulfate
CID 159139860
hexadecan-1-amine;propan-1-ol
CID 174670942
2-hexoxyethanol;sulfuric acid
CID 87749798
methyl hydrogen sulfate;pentan-1-amine
CID 173267345
sulfuric acid;tetradecan-1-ol
CID 87699970
dodecan-1-amine;hexan-1-ol
CID 90011077

Frequently Asked Questions

What is the IUPAC name of dodecan-1-amine;2-(2-hydroxyethoxyamino)oxyethanol;sulfuric acid?
The IUPAC name of dodecan-1-amine;2-(2-hydroxyethoxyamino)oxyethanol;sulfuric acid (CID 175057935) is dodecan-1-amine;2-(2-hydroxyethoxyamino)oxyethanol;sulfuric acid.
What is the SMILES notation for dodecan-1-amine;2-(2-hydroxyethoxyamino)oxyethanol;sulfuric acid?
The canonical SMILES for dodecan-1-amine;2-(2-hydroxyethoxyamino)oxyethanol;sulfuric acid is CCCCCCCCCCCCN.O=S(=O)(O)O.OCCONOCCO.
What is the InChIKey of dodecan-1-amine;2-(2-hydroxyethoxyamino)oxyethanol;sulfuric acid?
The InChIKey is OGIAZSNWCZJYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N.C4H11NO4.H2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13;6-1-3-8-5-9-4-2-7;1-5(2,3)4/h2-13H2,1H3;5-7H,1-4H2;(H2,1,2,3,4).
What are the key properties of dodecan-1-amine;2-(2-hydroxyethoxyamino)oxyethanol;sulfuric acid?
dodecan-1-amine;2-(2-hydroxyethoxyamino)oxyethanol;sulfuric acid has a molecular weight of 420.57 g/mol, XLogP of 1.64, 16 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dodecan-1-amine;2-(2-hydroxyethoxyamino)oxyethanol;sulfuric acid is sourced from PubChem (CID 175057935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).