sulfuric acid;5,7,9-triethyltridecan-7-amine

C19H43NO4S — CID 138397222

IUPACsulfuric acid;5,7,9-triethyltridecan-7-amine
SMILESCCCCC(CC)CC(N)(CC)CC(CC)CCCC.O=S(=O)(O)O
InChIInChI=1S/C19H41N.H2O4S/c1-6-11-13-17(8-3)15-19(20,10-5)16-18(9-4)14-12-7-2;1-5(2,3)4/h17-18H,6-16,20H2,1-5H3;(H2,1,2,3,4)
InChIKeyZQCRRLMFMNYRMF-UHFFFAOYSA-N
MW381.62 g/mol
LogP5.65
Rot. Bonds13

About sulfuric acid;5,7,9-triethyltridecan-7-amine

sulfuric acid;5,7,9-triethyltridecan-7-amine (PubChem CID 138397222) has the molecular formula C19H43NO4S and a molecular weight of 381.62 g/mol. Its IUPAC name is sulfuric acid;5,7,9-triethyltridecan-7-amine.

Molecular Properties

Compound Namesulfuric acid;5,7,9-triethyltridecan-7-amine
PubChem CID138397222
Molecular FormulaC19H43NO4S
Molecular Weight381.62 g/mol
Exact Mass381.29
IUPAC Namesulfuric acid;5,7,9-triethyltridecan-7-amine
SMILESCCCCC(CC)CC(N)(CC)CC(CC)CCCC.O=S(=O)(O)O
InChIInChI=1S/C19H41N.H2O4S/c1-6-11-13-17(8-3)15-19(20,10-5)16-18(9-4)14-12-7-2;1-5(2,3)4/h17-18H,6-16,20H2,1-5H3;(H2,1,2,3,4)
InChIKeyZQCRRLMFMNYRMF-UHFFFAOYSA-N
XLogP5.65
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.62
LogP ≤ 55.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 sulfuric acid;5,7,9-triethyltridecan-7-amine?
The IUPAC name of sulfuric acid;5,7,9-triethyltridecan-7-amine (CID 138397222) is sulfuric acid;5,7,9-triethyltridecan-7-amine.
What is the SMILES notation for sulfuric acid;5,7,9-triethyltridecan-7-amine?
The canonical SMILES for sulfuric acid;5,7,9-triethyltridecan-7-amine is CCCCC(CC)CC(N)(CC)CC(CC)CCCC.O=S(=O)(O)O.
What is the InChIKey of sulfuric acid;5,7,9-triethyltridecan-7-amine?
The InChIKey is ZQCRRLMFMNYRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41N.H2O4S/c1-6-11-13-17(8-3)15-19(20,10-5)16-18(9-4)14-12-7-2;1-5(2,3)4/h17-18H,6-16,20H2,1-5H3;(H2,1,2,3,4).
What are the key properties of sulfuric acid;5,7,9-triethyltridecan-7-amine?
sulfuric acid;5,7,9-triethyltridecan-7-amine has a molecular weight of 381.62 g/mol, XLogP of 5.65, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sulfuric acid;5,7,9-triethyltridecan-7-amine is sourced from PubChem (CID 138397222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).