1-(dipropylamino)pentan-2-yl hydrogen sulfate

C11H25NO4S — CID 169323906

IUPAC1-(dipropylamino)pentan-2-yl hydrogen sulfate
SMILESCCCC(CN(CCC)CCC)OS(=O)(=O)O
InChIInChI=1S/C11H25NO4S/c1-4-7-11(16-17(13,14)15)10-12(8-5-2)9-6-3/h11H,4-10H2,1-3H3,(H,13,14,15)
InChIKeyGGEAECYXZGMBOG-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.10
Rot. Bonds10

About 1-(dipropylamino)pentan-2-yl hydrogen sulfate

1-(dipropylamino)pentan-2-yl hydrogen sulfate (PubChem CID 169323906) has the molecular formula C11H25NO4S and a molecular weight of 267.39 g/mol. Its IUPAC name is 1-(dipropylamino)pentan-2-yl hydrogen sulfate.

Molecular Properties

Compound Name1-(dipropylamino)pentan-2-yl hydrogen sulfate
PubChem CID169323906
Molecular FormulaC11H25NO4S
Molecular Weight267.39 g/mol
Exact Mass267.15
IUPAC Name1-(dipropylamino)pentan-2-yl hydrogen sulfate
SMILESCCCC(CN(CCC)CCC)OS(=O)(=O)O
InChIInChI=1S/C11H25NO4S/c1-4-7-11(16-17(13,14)15)10-12(8-5-2)9-6-3/h11H,4-10H2,1-3H3,(H,13,14,15)
InChIKeyGGEAECYXZGMBOG-UHFFFAOYSA-N
XLogP2.10
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(dipropylamino)pentan-2-yl hydrogen sulfate?
The IUPAC name of 1-(dipropylamino)pentan-2-yl hydrogen sulfate (CID 169323906) is 1-(dipropylamino)pentan-2-yl hydrogen sulfate.
What is the SMILES notation for 1-(dipropylamino)pentan-2-yl hydrogen sulfate?
The canonical SMILES for 1-(dipropylamino)pentan-2-yl hydrogen sulfate is CCCC(CN(CCC)CCC)OS(=O)(=O)O.
What is the InChIKey of 1-(dipropylamino)pentan-2-yl hydrogen sulfate?
The InChIKey is GGEAECYXZGMBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO4S/c1-4-7-11(16-17(13,14)15)10-12(8-5-2)9-6-3/h11H,4-10H2,1-3H3,(H,13,14,15).
What are the key properties of 1-(dipropylamino)pentan-2-yl hydrogen sulfate?
1-(dipropylamino)pentan-2-yl hydrogen sulfate has a molecular weight of 267.39 g/mol, XLogP of 2.10, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dipropylamino)pentan-2-yl hydrogen sulfate is sourced from PubChem (CID 169323906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).