2-methylpropan-2-amine;sulfuric acid

C4H13NO4S — CID 10964978

IUPAC2-methylpropan-2-amine;sulfuric acid
SMILESCC(C)(C)N.O=S(=O)(O)O
InChIInChI=1S/C4H11N.H2O4S/c1-4(2,3)5;1-5(2,3)4/h5H2,1-3H3;(H2,1,2,3,4)
InChIKeyBGMXQLNMDVZYRF-UHFFFAOYSA-N
MW171.22 g/mol
LogP0.09
Rot. Bonds

About 2-methylpropan-2-amine;sulfuric acid

2-methylpropan-2-amine;sulfuric acid (PubChem CID 10964978) has the molecular formula C4H13NO4S and a molecular weight of 171.22 g/mol. Its IUPAC name is 2-methylpropan-2-amine;sulfuric acid.

Molecular Properties

Compound Name2-methylpropan-2-amine;sulfuric acid
PubChem CID10964978
Molecular FormulaC4H13NO4S
Molecular Weight171.22 g/mol
Exact Mass171.06
IUPAC Name2-methylpropan-2-amine;sulfuric acid
SMILESCC(C)(C)N.O=S(=O)(O)O
InChIInChI=1S/C4H11N.H2O4S/c1-4(2,3)5;1-5(2,3)4/h5H2,1-3H3;(H2,1,2,3,4)
InChIKeyBGMXQLNMDVZYRF-UHFFFAOYSA-N
XLogP0.09
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropan-2-amine;sulfuric acid?
The IUPAC name of 2-methylpropan-2-amine;sulfuric acid (CID 10964978) is 2-methylpropan-2-amine;sulfuric acid.
What is the SMILES notation for 2-methylpropan-2-amine;sulfuric acid?
The canonical SMILES for 2-methylpropan-2-amine;sulfuric acid is CC(C)(C)N.O=S(=O)(O)O.
What is the InChIKey of 2-methylpropan-2-amine;sulfuric acid?
The InChIKey is BGMXQLNMDVZYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.H2O4S/c1-4(2,3)5;1-5(2,3)4/h5H2,1-3H3;(H2,1,2,3,4).
What are the key properties of 2-methylpropan-2-amine;sulfuric acid?
2-methylpropan-2-amine;sulfuric acid has a molecular weight of 171.22 g/mol, XLogP of 0.09, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropan-2-amine;sulfuric acid is sourced from PubChem (CID 10964978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).