N,N-dimethylbutan-1-amine;methanesulfonic acid

C7H19NO3S — CID 174158325

IUPACN,N-dimethylbutan-1-amine;methanesulfonic acid
SMILESCCCCN(C)C.CS(=O)(=O)O
InChIInChI=1S/C6H15N.CH4O3S/c1-4-5-6-7(2)3;1-5(2,3)4/h4-6H2,1-3H3;1H3,(H,2,3,4)
InChIKeyOPHSEQBPZNXFOQ-UHFFFAOYSA-N
MW197.30 g/mol
LogP0.85
Rot. Bonds3

About N,N-dimethylbutan-1-amine;methanesulfonic acid

N,N-dimethylbutan-1-amine;methanesulfonic acid (PubChem CID 174158325) has the molecular formula C7H19NO3S and a molecular weight of 197.30 g/mol. Its IUPAC name is N,N-dimethylbutan-1-amine;methanesulfonic acid.

Molecular Properties

Compound NameN,N-dimethylbutan-1-amine;methanesulfonic acid
PubChem CID174158325
Molecular FormulaC7H19NO3S
Molecular Weight197.30 g/mol
Exact Mass197.11
IUPAC NameN,N-dimethylbutan-1-amine;methanesulfonic acid
SMILESCCCCN(C)C.CS(=O)(=O)O
InChIInChI=1S/C6H15N.CH4O3S/c1-4-5-6-7(2)3;1-5(2,3)4/h4-6H2,1-3H3;1H3,(H,2,3,4)
InChIKeyOPHSEQBPZNXFOQ-UHFFFAOYSA-N
XLogP0.85
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 50.85
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

bis(N,N-dimethylnonadecan-1-amine);sulfuric acid
CID 175167546
N,N-dimethylbutan-1-amine;dihydrochloride
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CID 142050981
N,N-dimethylbutan-1-amine;propanoic acid
CID 173099075
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N-[4-(dimethylamino)butyl]propane-1-sulfonamide
CID 64586138
butane;ethane;methanesulfonic acid;octane
CID 144526252
carbonic acid;N,N-dimethyldecan-1-amine
CID 174565539
N,N-dimethyloctan-1-amine
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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylbutan-1-amine;methanesulfonic acid?
The IUPAC name of N,N-dimethylbutan-1-amine;methanesulfonic acid (CID 174158325) is N,N-dimethylbutan-1-amine;methanesulfonic acid.
What is the SMILES notation for N,N-dimethylbutan-1-amine;methanesulfonic acid?
The canonical SMILES for N,N-dimethylbutan-1-amine;methanesulfonic acid is CCCCN(C)C.CS(=O)(=O)O.
What is the InChIKey of N,N-dimethylbutan-1-amine;methanesulfonic acid?
The InChIKey is OPHSEQBPZNXFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.CH4O3S/c1-4-5-6-7(2)3;1-5(2,3)4/h4-6H2,1-3H3;1H3,(H,2,3,4).
What are the key properties of N,N-dimethylbutan-1-amine;methanesulfonic acid?
N,N-dimethylbutan-1-amine;methanesulfonic acid has a molecular weight of 197.30 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylbutan-1-amine;methanesulfonic acid is sourced from PubChem (CID 174158325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).