N-butan-2-ylbutan-2-amine;sulfuric acid

C8H21NO4S — CID 138397269

IUPACN-butan-2-ylbutan-2-amine;sulfuric acid
SMILESCCC(C)NC(C)CC.O=S(=O)(O)O
InChIInChI=1S/C8H19N.H2O4S/c1-5-7(3)9-8(4)6-2;1-5(2,3)4/h7-9H,5-6H2,1-4H3;(H2,1,2,3,4)
InChIKeyMAAGHPOMZBPTDF-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.52
Rot. Bonds4

About N-butan-2-ylbutan-2-amine;sulfuric acid

N-butan-2-ylbutan-2-amine;sulfuric acid (PubChem CID 138397269) has the molecular formula C8H21NO4S and a molecular weight of 227.33 g/mol. Its IUPAC name is N-butan-2-ylbutan-2-amine;sulfuric acid.

Molecular Properties

Compound NameN-butan-2-ylbutan-2-amine;sulfuric acid
PubChem CID138397269
Molecular FormulaC8H21NO4S
Molecular Weight227.33 g/mol
Exact Mass227.12
IUPAC NameN-butan-2-ylbutan-2-amine;sulfuric acid
SMILESCCC(C)NC(C)CC.O=S(=O)(O)O
InChIInChI=1S/C8H19N.H2O4S/c1-5-7(3)9-8(4)6-2;1-5(2,3)4/h7-9H,5-6H2,1-4H3;(H2,1,2,3,4)
InChIKeyMAAGHPOMZBPTDF-UHFFFAOYSA-N
XLogP1.52
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-butan-2-ylbutan-2-amine;sulfuric acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

sulfuric acid;triethyl(methyl)phosphanium
CID 174902291
sulfuric acid;tetramethylphosphanium
CID 87132357
(3S)-3-(butan-2-ylamino)butan-1-ol
CID 131065371
(2R)-2-[[(2S)-butan-2-yl]amino]propanoic acid
CID 93054816
N-butan-2-ylethanesulfonamide
CID 5091177
2-(butan-2-ylamino)-3-methylbutanoic acid
CID 12837669
N-butan-2-ylsulfamoyl fluoride
CID 56606599
N-butan-2-yl-4-chlorobutan-2-amine
CID 83187312
(2R)-butane-2-sulfonic acid
CID 46398806
N-butan-2-ylbutan-2-amine;heptanoic acid
CID 173099014
2-(butan-2-ylamino)-3-hydroxypropanoic acid
CID 79689063
(3R)-3-(1-ethylsulfonylpropan-2-ylamino)butan-1-ol
CID 103914395

Frequently Asked Questions

What is the IUPAC name of N-butan-2-ylbutan-2-amine;sulfuric acid?
The IUPAC name of N-butan-2-ylbutan-2-amine;sulfuric acid (CID 138397269) is N-butan-2-ylbutan-2-amine;sulfuric acid.
What is the SMILES notation for N-butan-2-ylbutan-2-amine;sulfuric acid?
The canonical SMILES for N-butan-2-ylbutan-2-amine;sulfuric acid is CCC(C)NC(C)CC.O=S(=O)(O)O.
What is the InChIKey of N-butan-2-ylbutan-2-amine;sulfuric acid?
The InChIKey is MAAGHPOMZBPTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.H2O4S/c1-5-7(3)9-8(4)6-2;1-5(2,3)4/h7-9H,5-6H2,1-4H3;(H2,1,2,3,4).
What are the key properties of N-butan-2-ylbutan-2-amine;sulfuric acid?
N-butan-2-ylbutan-2-amine;sulfuric acid has a molecular weight of 227.33 g/mol, XLogP of 1.52, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-ylbutan-2-amine;sulfuric acid is sourced from PubChem (CID 138397269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).