N,N-dimethylmethanamine;methyl hydrogen sulfate;N-methylpropan-1-amine

C8H24N2O4S — CID 174472980

IUPACN,N-dimethylmethanamine;methyl hydrogen sulfate;N-methylpropan-1-amine
SMILESCCCNC.CN(C)C.COS(=O)(=O)O
InChIInChI=1S/C4H11N.C3H9N.CH4O4S/c1-3-4-5-2;1-4(2)3;1-5-6(2,3)4/h5H,3-4H2,1-2H3;1-3H3;1H3,(H,2,3,4)
InChIKeyKLQLZVZJTHZENS-UHFFFAOYSA-N
MW244.36 g/mol
LogP0.23
Rot. Bonds3

About N,N-dimethylmethanamine;methyl hydrogen sulfate;N-methylpropan-1-amine

N,N-dimethylmethanamine;methyl hydrogen sulfate;N-methylpropan-1-amine (PubChem CID 174472980) has the molecular formula C8H24N2O4S and a molecular weight of 244.36 g/mol. Its IUPAC name is N,N-dimethylmethanamine;methyl hydrogen sulfate;N-methylpropan-1-amine.

Molecular Properties

Compound NameN,N-dimethylmethanamine;methyl hydrogen sulfate;N-methylpropan-1-amine
PubChem CID174472980
Molecular FormulaC8H24N2O4S
Molecular Weight244.36 g/mol
Exact Mass244.15
IUPAC NameN,N-dimethylmethanamine;methyl hydrogen sulfate;N-methylpropan-1-amine
SMILESCCCNC.CN(C)C.COS(=O)(=O)O
InChIInChI=1S/C4H11N.C3H9N.CH4O4S/c1-3-4-5-2;1-4(2)3;1-5-6(2,3)4/h5H,3-4H2,1-2H3;1-3H3;1H3,(H,2,3,4)
InChIKeyKLQLZVZJTHZENS-UHFFFAOYSA-N
XLogP0.23
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 159819552
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2-(methylamino)ethanol;methyl hydrogen sulfate
CID 86001680
N,N-dimethylpropan-1-amine;methyl hydrogen sulfate
CID 174895397
N-butyl-2-methylprop-2-enamide;bis(N,N-dimethylmethanamine);methyl hydrogen sulfate
CID 173048694
N-ethylethanamine;methyl hydrogen sulfate
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N-[3-(methylamino)propyl]octadecanamide;methyl hydrogen sulfate
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CID 175275891
methyl hydrogen sulfate;hydrobromide
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1-(methylamino)propan-2-ol;methyl hydrogen sulfate
CID 175742512

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;methyl hydrogen sulfate;N-methylpropan-1-amine?
The IUPAC name of N,N-dimethylmethanamine;methyl hydrogen sulfate;N-methylpropan-1-amine (CID 174472980) is N,N-dimethylmethanamine;methyl hydrogen sulfate;N-methylpropan-1-amine.
What is the SMILES notation for N,N-dimethylmethanamine;methyl hydrogen sulfate;N-methylpropan-1-amine?
The canonical SMILES for N,N-dimethylmethanamine;methyl hydrogen sulfate;N-methylpropan-1-amine is CCCNC.CN(C)C.COS(=O)(=O)O.
What is the InChIKey of N,N-dimethylmethanamine;methyl hydrogen sulfate;N-methylpropan-1-amine?
The InChIKey is KLQLZVZJTHZENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.C3H9N.CH4O4S/c1-3-4-5-2;1-4(2)3;1-5-6(2,3)4/h5H,3-4H2,1-2H3;1-3H3;1H3,(H,2,3,4).
What are the key properties of N,N-dimethylmethanamine;methyl hydrogen sulfate;N-methylpropan-1-amine?
N,N-dimethylmethanamine;methyl hydrogen sulfate;N-methylpropan-1-amine has a molecular weight of 244.36 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;methyl hydrogen sulfate;N-methylpropan-1-amine is sourced from PubChem (CID 174472980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).