1-aminopropan-1-ol;dodecyl hydrogen sulfate

C15H35NO5S — CID 175192764

IUPAC1-aminopropan-1-ol;dodecyl hydrogen sulfate
SMILESCCC(N)O.CCCCCCCCCCCCOS(=O)(=O)O
InChIInChI=1S/C12H26O4S.C3H9NO/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;1-2-3(4)5/h2-12H2,1H3,(H,13,14,15);3,5H,2,4H2,1H3
InChIKeyHDKHYVQZZMBBDU-UHFFFAOYSA-N
MW341.51 g/mol
LogP3.40
Rot. Bonds13

About 1-aminopropan-1-ol;dodecyl hydrogen sulfate

1-aminopropan-1-ol;dodecyl hydrogen sulfate (PubChem CID 175192764) has the molecular formula C15H35NO5S and a molecular weight of 341.51 g/mol. Its IUPAC name is 1-aminopropan-1-ol;dodecyl hydrogen sulfate.

Molecular Properties

Compound Name1-aminopropan-1-ol;dodecyl hydrogen sulfate
PubChem CID175192764
Molecular FormulaC15H35NO5S
Molecular Weight341.51 g/mol
Exact Mass341.22
IUPAC Name1-aminopropan-1-ol;dodecyl hydrogen sulfate
SMILESCCC(N)O.CCCCCCCCCCCCOS(=O)(=O)O
InChIInChI=1S/C12H26O4S.C3H9NO/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;1-2-3(4)5/h2-12H2,1H3,(H,13,14,15);3,5H,2,4H2,1H3
InChIKeyHDKHYVQZZMBBDU-UHFFFAOYSA-N
XLogP3.40
TPSA109.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.51
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

1-aminoethane-1,2-diol;dodecyl hydrogen sulfate
CID 87302061
decyl hydrogen sulfate;dodecyl hydrogen sulfate
CID 87746197
tridecyl hydrogen sulfate;hydrate
CID 88668618
Sodiumn-tridecylsulphate
CID 131877406
CID 87182380
CID 87182380
magnesium icosyl hydrogen sulfate
CID 21125099
alumane;octadecyl hydrogen sulfate
CID 175420064
CID 170845374
CID 170845374
azanium decyl hydrogen sulfate
CID 21115891
2-aminobutane-1,1,1-triol;dodecyl hydrogen sulfate
CID 175173570
sodium;dodecyl hydrogen sulfate;hydride
CID 173193135
butyl hydrogen sulfate;heptane
CID 175360663

Frequently Asked Questions

What is the IUPAC name of 1-aminopropan-1-ol;dodecyl hydrogen sulfate?
The IUPAC name of 1-aminopropan-1-ol;dodecyl hydrogen sulfate (CID 175192764) is 1-aminopropan-1-ol;dodecyl hydrogen sulfate.
What is the SMILES notation for 1-aminopropan-1-ol;dodecyl hydrogen sulfate?
The canonical SMILES for 1-aminopropan-1-ol;dodecyl hydrogen sulfate is CCC(N)O.CCCCCCCCCCCCOS(=O)(=O)O.
What is the InChIKey of 1-aminopropan-1-ol;dodecyl hydrogen sulfate?
The InChIKey is HDKHYVQZZMBBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O4S.C3H9NO/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;1-2-3(4)5/h2-12H2,1H3,(H,13,14,15);3,5H,2,4H2,1H3.
What are the key properties of 1-aminopropan-1-ol;dodecyl hydrogen sulfate?
1-aminopropan-1-ol;dodecyl hydrogen sulfate has a molecular weight of 341.51 g/mol, XLogP of 3.40, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminopropan-1-ol;dodecyl hydrogen sulfate is sourced from PubChem (CID 175192764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).