butan-1-amine;N,N-dimethylmethanamine;sulfuric acid

C7H22N2O4S — CID 174720864

IUPACbutan-1-amine;N,N-dimethylmethanamine;sulfuric acid
SMILESCCCCN.CN(C)C.O=S(=O)(O)O
InChIInChI=1S/C4H11N.C3H9N.H2O4S/c1-2-3-4-5;1-4(2)3;1-5(2,3)4/h2-5H2,1H3;1-3H3;(H2,1,2,3,4)
InChIKeyDFXWUNLRPHDAPD-UHFFFAOYSA-N
MW230.33 g/mol
LogP0.27
Rot. Bonds2

About butan-1-amine;N,N-dimethylmethanamine;sulfuric acid

butan-1-amine;N,N-dimethylmethanamine;sulfuric acid (PubChem CID 174720864) has the molecular formula C7H22N2O4S and a molecular weight of 230.33 g/mol. Its IUPAC name is butan-1-amine;N,N-dimethylmethanamine;sulfuric acid.

Molecular Properties

Compound Namebutan-1-amine;N,N-dimethylmethanamine;sulfuric acid
PubChem CID174720864
Molecular FormulaC7H22N2O4S
Molecular Weight230.33 g/mol
Exact Mass230.13
IUPAC Namebutan-1-amine;N,N-dimethylmethanamine;sulfuric acid
SMILESCCCCN.CN(C)C.O=S(=O)(O)O
InChIInChI=1S/C4H11N.C3H9N.H2O4S/c1-2-3-4-5;1-4(2)3;1-5(2,3)4/h2-5H2,1H3;1-3H3;(H2,1,2,3,4)
InChIKeyDFXWUNLRPHDAPD-UHFFFAOYSA-N
XLogP0.27
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(nonan-1-amine);sulfuric acid
CID 3055201
azane;dodecan-1-amine;sulfuric acid
CID 173110292
butan-1-amine;butane-1-sulfonic acid
CID 159596824
butan-1-amine;sulfuryl dichloride;hydrochloride
CID 159395849
2-(dimethylamino)ethanesulfonic acid;pentan-1-amine
CID 174855112
N,N-dimethylmethanamine;heptan-1-amine
CID 172839384
N,N-dimethylmethanamine;tetradecan-1-amine
CID 172778016
sulfuric acid;tridecane
CID 91872702
methyl hydrogen sulfate;pentan-1-amine
CID 173267345
CID 159237160
CID 159237160
N,N-dimethylmethanamine;tetradecan-1-amine;hydroiodide
CID 174345360
butan-1-amine;hydroxy(oxo)phosphanium
CID 173106427

Frequently Asked Questions

What is the IUPAC name of butan-1-amine;N,N-dimethylmethanamine;sulfuric acid?
The IUPAC name of butan-1-amine;N,N-dimethylmethanamine;sulfuric acid (CID 174720864) is butan-1-amine;N,N-dimethylmethanamine;sulfuric acid.
What is the SMILES notation for butan-1-amine;N,N-dimethylmethanamine;sulfuric acid?
The canonical SMILES for butan-1-amine;N,N-dimethylmethanamine;sulfuric acid is CCCCN.CN(C)C.O=S(=O)(O)O.
What is the InChIKey of butan-1-amine;N,N-dimethylmethanamine;sulfuric acid?
The InChIKey is DFXWUNLRPHDAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.C3H9N.H2O4S/c1-2-3-4-5;1-4(2)3;1-5(2,3)4/h2-5H2,1H3;1-3H3;(H2,1,2,3,4).
What are the key properties of butan-1-amine;N,N-dimethylmethanamine;sulfuric acid?
butan-1-amine;N,N-dimethylmethanamine;sulfuric acid has a molecular weight of 230.33 g/mol, XLogP of 0.27, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-amine;N,N-dimethylmethanamine;sulfuric acid is sourced from PubChem (CID 174720864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).