N,N-diethylprop-1-yn-1-amine;sulfuric acid

C7H15NO4S — CID 71383833

IUPACN,N-diethylprop-1-yn-1-amine;sulfuric acid
SMILESCC#CN(CC)CC.O=S(=O)(O)O
InChIInChI=1S/C7H13N.H2O4S/c1-4-7-8(5-2)6-3;1-5(2,3)4/h5-6H2,1-3H3;(H2,1,2,3,4)
InChIKeyNWDRUZRGKVVHMP-UHFFFAOYSA-N
MW209.27 g/mol
LogP0.66
Rot. Bonds2

About N,N-diethylprop-1-yn-1-amine;sulfuric acid

N,N-diethylprop-1-yn-1-amine;sulfuric acid (PubChem CID 71383833) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is N,N-diethylprop-1-yn-1-amine;sulfuric acid.

Molecular Properties

Compound NameN,N-diethylprop-1-yn-1-amine;sulfuric acid
PubChem CID71383833
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC NameN,N-diethylprop-1-yn-1-amine;sulfuric acid
SMILESCC#CN(CC)CC.O=S(=O)(O)O
InChIInChI=1S/C7H13N.H2O4S/c1-4-7-8(5-2)6-3;1-5(2,3)4/h5-6H2,1-3H3;(H2,1,2,3,4)
InChIKeyNWDRUZRGKVVHMP-UHFFFAOYSA-N
XLogP0.66
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N,N-diethylprop-1-yn-1-amine;sulfuric acid?
The IUPAC name of N,N-diethylprop-1-yn-1-amine;sulfuric acid (CID 71383833) is N,N-diethylprop-1-yn-1-amine;sulfuric acid.
What is the SMILES notation for N,N-diethylprop-1-yn-1-amine;sulfuric acid?
The canonical SMILES for N,N-diethylprop-1-yn-1-amine;sulfuric acid is CC#CN(CC)CC.O=S(=O)(O)O.
What is the InChIKey of N,N-diethylprop-1-yn-1-amine;sulfuric acid?
The InChIKey is NWDRUZRGKVVHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N.H2O4S/c1-4-7-8(5-2)6-3;1-5(2,3)4/h5-6H2,1-3H3;(H2,1,2,3,4).
What are the key properties of N,N-diethylprop-1-yn-1-amine;sulfuric acid?
N,N-diethylprop-1-yn-1-amine;sulfuric acid has a molecular weight of 209.27 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylprop-1-yn-1-amine;sulfuric acid is sourced from PubChem (CID 71383833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).