N-ethyl-N-methylethanamine;methanesulfonic acid

C6H17NO3S — CID 121235737

IUPACN-ethyl-N-methylethanamine;methanesulfonic acid
SMILESCCN(C)CC.CS(=O)(=O)O
InChIInChI=1S/C5H13N.CH4O3S/c1-4-6(3)5-2;1-5(2,3)4/h4-5H2,1-3H3;1H3,(H,2,3,4)
InChIKeyYHOXRVURMRBHDX-UHFFFAOYSA-N
MW183.27 g/mol
LogP0.46
Rot. Bonds2

About N-ethyl-N-methylethanamine;methanesulfonic acid

N-ethyl-N-methylethanamine;methanesulfonic acid (PubChem CID 121235737) has the molecular formula C6H17NO3S and a molecular weight of 183.27 g/mol. Its IUPAC name is N-ethyl-N-methylethanamine;methanesulfonic acid.

Molecular Properties

Compound NameN-ethyl-N-methylethanamine;methanesulfonic acid
PubChem CID121235737
Molecular FormulaC6H17NO3S
Molecular Weight183.27 g/mol
Exact Mass183.09
IUPAC NameN-ethyl-N-methylethanamine;methanesulfonic acid
SMILESCCN(C)CC.CS(=O)(=O)O
InChIInChI=1S/C5H13N.CH4O3S/c1-4-6(3)5-2;1-5(2,3)4/h4-5H2,1-3H3;1H3,(H,2,3,4)
InChIKeyYHOXRVURMRBHDX-UHFFFAOYSA-N
XLogP0.46
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethylethanamine;methanesulfonic acid;hydrochloride
CID 87836130
diethylaminosulfamic acid
CID 87969127
N-ethyl-N-methylethanamine;4-methylbenzenesulfonic acid
CID 71445382
ethane;N-ethyl-N-methylethanamine;propane
CID 170620045
N-ethyl-N-methylethanamine;methanamine
CID 145177387
4-[ethyl(methyl)amino]butane-1-sulfonic acid
CID 54170447
methanesulfonic acid;N-methyl-N-prop-2-enylprop-2-en-1-amine
CID 89483061
N,N-dimethylbutan-1-amine;methanesulfonic acid
CID 174158325
tetradecakis(N,N-diethylethanamine);sulfuric acid
CID 173427805
N-ethyl-2-[2-[ethyl(methyl)amino]ethylsulfonyl]-N-methylethanamine
CID 164964311
hydron;methanesulfonic acid
CID 19767432
methanesulfonic acid;stibane
CID 173129060

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methylethanamine;methanesulfonic acid?
The IUPAC name of N-ethyl-N-methylethanamine;methanesulfonic acid (CID 121235737) is N-ethyl-N-methylethanamine;methanesulfonic acid.
What is the SMILES notation for N-ethyl-N-methylethanamine;methanesulfonic acid?
The canonical SMILES for N-ethyl-N-methylethanamine;methanesulfonic acid is CCN(C)CC.CS(=O)(=O)O.
What is the InChIKey of N-ethyl-N-methylethanamine;methanesulfonic acid?
The InChIKey is YHOXRVURMRBHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N.CH4O3S/c1-4-6(3)5-2;1-5(2,3)4/h4-5H2,1-3H3;1H3,(H,2,3,4).
What are the key properties of N-ethyl-N-methylethanamine;methanesulfonic acid?
N-ethyl-N-methylethanamine;methanesulfonic acid has a molecular weight of 183.27 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methylethanamine;methanesulfonic acid is sourced from PubChem (CID 121235737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).