2-cyclopropylethanamine;sulfuric acid

C5H13NO4S — CID 160536384

IUPAC2-cyclopropylethanamine;sulfuric acid
SMILESNCCC1CC1.O=S(=O)(O)O
InChIInChI=1S/C5H11N.H2O4S/c6-4-3-5-1-2-5;1-5(2,3)4/h5H,1-4,6H2;(H2,1,2,3,4)
InChIKeyQWFFFSHERUZTRT-UHFFFAOYSA-N
MW183.23 g/mol
LogP0.09
Rot. Bonds2

About 2-cyclopropylethanamine;sulfuric acid

2-cyclopropylethanamine;sulfuric acid (PubChem CID 160536384) has the molecular formula C5H13NO4S and a molecular weight of 183.23 g/mol. Its IUPAC name is 2-cyclopropylethanamine;sulfuric acid.

Molecular Properties

Compound Name2-cyclopropylethanamine;sulfuric acid
PubChem CID160536384
Molecular FormulaC5H13NO4S
Molecular Weight183.23 g/mol
Exact Mass183.06
IUPAC Name2-cyclopropylethanamine;sulfuric acid
SMILESNCCC1CC1.O=S(=O)(O)O
InChIInChI=1S/C5H11N.H2O4S/c6-4-3-5-1-2-5;1-5(2,3)4/h5H,1-4,6H2;(H2,1,2,3,4)
InChIKeyQWFFFSHERUZTRT-UHFFFAOYSA-N
XLogP0.09
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
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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Related Compounds

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ethyl 4-(2-aminoethyl)cyclohexane-1-carboxylate;hydrochloride
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2-[3,5,7-tris(2-aminoethyl)cyclooctyl]ethanamine
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azane;ethane-1,2-diamine;palladium;sulfuric acid
CID 175400148
2-[4-(1,1-difluoroethyl)cyclohexyl]ethanamine
CID 84772014
2-piperidin-4-ylethanamine;trihydrochloride
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2-(2-cyclopentylethyl)guanidine;sulfuric acid
CID 70610443
2-(1-phosphanylpiperidin-4-yl)ethanamine
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2-[3,4-bis(2-aminoethyl)cyclohexyl]ethanamine
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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylethanamine;sulfuric acid?
The IUPAC name of 2-cyclopropylethanamine;sulfuric acid (CID 160536384) is 2-cyclopropylethanamine;sulfuric acid.
What is the SMILES notation for 2-cyclopropylethanamine;sulfuric acid?
The canonical SMILES for 2-cyclopropylethanamine;sulfuric acid is NCCC1CC1.O=S(=O)(O)O.
What is the InChIKey of 2-cyclopropylethanamine;sulfuric acid?
The InChIKey is QWFFFSHERUZTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.H2O4S/c6-4-3-5-1-2-5;1-5(2,3)4/h5H,1-4,6H2;(H2,1,2,3,4).
What are the key properties of 2-cyclopropylethanamine;sulfuric acid?
2-cyclopropylethanamine;sulfuric acid has a molecular weight of 183.23 g/mol, XLogP of 0.09, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylethanamine;sulfuric acid is sourced from PubChem (CID 160536384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).