tetradecakis(N,N-diethylethanamine);sulfuric acid

C84H212N14O4S — CID 173427805

IUPACtetradecakis(N,N-diethylethanamine);sulfuric acid
SMILESCCN(CC)CC.CCN(CC)CC.CCN(CC)CC.CCN(CC)CC.CCN(CC)CC.CCN(CC)CC.CCN(CC)CC.CCN(CC)CC.CCN(CC)CC.CCN(CC)CC.CCN(CC)CC.CCN(CC)CC.CCN(CC)CC.CCN(CC)CC.O=S(=O)(O)O
InChIInChI=1S/14C6H15N.H2O4S/c14*1-4-7(5-2)6-3;1-5(2,3)4/h14*4-6H2,1-3H3;(H2,1,2,3,4)
InChIKeyILOWUCGCIRTGRY-UHFFFAOYSA-N
MW1514.78 g/mol
LogP18.22
Rot. Bonds42

About tetradecakis(N,N-diethylethanamine);sulfuric acid

tetradecakis(N,N-diethylethanamine);sulfuric acid (PubChem CID 173427805) has the molecular formula C84H212N14O4S and a molecular weight of 1514.78 g/mol. Its IUPAC name is tetradecakis(N,N-diethylethanamine);sulfuric acid.

Molecular Properties

Compound Nametetradecakis(N,N-diethylethanamine);sulfuric acid
PubChem CID173427805
Molecular FormulaC84H212N14O4S
Molecular Weight1514.78 g/mol
Exact Mass1513.65
IUPAC Nametetradecakis(N,N-diethylethanamine);sulfuric acid
SMILESCCN(CC)CC.CCN(CC)CC.CCN(CC)CC.CCN(CC)CC.CCN(CC)CC.CCN(CC)CC.CCN(CC)CC.CCN(CC)CC.CCN(CC)CC.CCN(CC)CC.CCN(CC)CC.CCN(CC)CC.CCN(CC)CC.CCN(CC)CC.O=S(=O)(O)O
InChIInChI=1S/14C6H15N.H2O4S/c14*1-4-7(5-2)6-3;1-5(2,3)4/h14*4-6H2,1-3H3;(H2,1,2,3,4)
InChIKeyILOWUCGCIRTGRY-UHFFFAOYSA-N
XLogP18.22
TPSA119.96 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds42
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001514.78
LogP ≤ 518.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

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Related Compounds

sodium;N,N-diethylethanamine;hydride;sulfuric acid
CID 175161675
N,N-diethylethanamine;ethanesulfonic acid
CID 86151336
N,N-diethylethanamine;methanesulfonic acid;hydrochloride
CID 87836130
2-[ethyl(2-hydroxyethyl)amino]ethanol;sulfuric acid
CID 19968816
1-(diethylamino)propan-2-one;sulfuric acid
CID 87420843
lithium;N,N-diethylethanamine;hydride
CID 161206277
N,N-diethylethanamine;ethane
CID 22114990
ethane;sulfuric acid
CID 174865721
N,N-diethylethanamine;2-(dimethylamino)ethanesulfonic acid
CID 175940387
N,N-diethylethanamine;2-methylprop-2-ene-1-sulfonic acid
CID 174514420
N,N-diethylethanamine;hypochlorous acid
CID 87187871
N,N-diethylethanamine;oxotitanium
CID 174882939

Frequently Asked Questions

What is the IUPAC name of tetradecakis(N,N-diethylethanamine);sulfuric acid?
The IUPAC name of tetradecakis(N,N-diethylethanamine);sulfuric acid (CID 173427805) is tetradecakis(N,N-diethylethanamine);sulfuric acid.
What is the SMILES notation for tetradecakis(N,N-diethylethanamine);sulfuric acid?
The canonical SMILES for tetradecakis(N,N-diethylethanamine);sulfuric acid is CCN(CC)CC.CCN(CC)CC.CCN(CC)CC.CCN(CC)CC.CCN(CC)CC.CCN(CC)CC.CCN(CC)CC.CCN(CC)CC.CCN(CC)CC.CCN(CC)CC.CCN(CC)CC.CCN(CC)CC.CCN(CC)CC.CCN(CC)CC.O=S(=O)(O)O.
What is the InChIKey of tetradecakis(N,N-diethylethanamine);sulfuric acid?
The InChIKey is ILOWUCGCIRTGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/14C6H15N.H2O4S/c14*1-4-7(5-2)6-3;1-5(2,3)4/h14*4-6H2,1-3H3;(H2,1,2,3,4).
What are the key properties of tetradecakis(N,N-diethylethanamine);sulfuric acid?
tetradecakis(N,N-diethylethanamine);sulfuric acid has a molecular weight of 1514.78 g/mol, XLogP of 18.22, 42 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecakis(N,N-diethylethanamine);sulfuric acid is sourced from PubChem (CID 173427805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).