2-propylguanidine;sulfuric acid

C4H13N3O4S — CID 12725939

IUPAC2-propylguanidine;sulfuric acid
SMILESCCCN=C(N)N.O=S(=O)(O)O
InChIInChI=1S/C4H11N3.H2O4S/c1-2-3-7-4(5)6;1-5(2,3)4/h2-3H2,1H3,(H4,5,6,7);(H2,1,2,3,4)
InChIKeyCTRTUKIIAAAKIJ-UHFFFAOYSA-N
MW199.23 g/mol
LogP-0.98
Rot. Bonds2

About 2-propylguanidine;sulfuric acid

2-propylguanidine;sulfuric acid (PubChem CID 12725939) has the molecular formula C4H13N3O4S and a molecular weight of 199.23 g/mol. Its IUPAC name is 2-propylguanidine;sulfuric acid.

Molecular Properties

Compound Name2-propylguanidine;sulfuric acid
PubChem CID12725939
Molecular FormulaC4H13N3O4S
Molecular Weight199.23 g/mol
Exact Mass199.06
IUPAC Name2-propylguanidine;sulfuric acid
SMILESCCCN=C(N)N.O=S(=O)(O)O
InChIInChI=1S/C4H11N3.H2O4S/c1-2-3-7-4(5)6;1-5(2,3)4/h2-3H2,1H3,(H4,5,6,7);(H2,1,2,3,4)
InChIKeyCTRTUKIIAAAKIJ-UHFFFAOYSA-N
XLogP-0.98
TPSA139.00 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 5-0.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-(diaminomethylideneamino)ethyldisulfanyl]ethyl]guanidine;sulfuric acid
CID 42614789
2-(4-aminobutyl)guanidine;sulfuric acid
CID 2794990
2-[2-(diaminomethylideneamino)ethyl]guanidine
CID 25831
2-[2-[cyclohexyl(propyl)amino]ethyl]guanidine;sulfuric acid;hydrate
CID 23619153
2-but-2-ynylguanidine;sulfuric acid
CID 88797227
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-propylguanidine
CID 87334568
2-(2-cyclopentylethyl)guanidine;sulfuric acid
CID 70610443
ethane;N'-propylethanimidamide
CID 156797871
butane;sulfuric acid;zinc
CID 175431012
oxalic acid;2-tetradecylguanidine
CID 88685065
3-amino-3-propyliminopropanamide
CID 126994511
2-propan-2-ylguanidine;sulfuric acid
CID 11644095

Frequently Asked Questions

What is the IUPAC name of 2-propylguanidine;sulfuric acid?
The IUPAC name of 2-propylguanidine;sulfuric acid (CID 12725939) is 2-propylguanidine;sulfuric acid.
What is the SMILES notation for 2-propylguanidine;sulfuric acid?
The canonical SMILES for 2-propylguanidine;sulfuric acid is CCCN=C(N)N.O=S(=O)(O)O.
What is the InChIKey of 2-propylguanidine;sulfuric acid?
The InChIKey is CTRTUKIIAAAKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3.H2O4S/c1-2-3-7-4(5)6;1-5(2,3)4/h2-3H2,1H3,(H4,5,6,7);(H2,1,2,3,4).
What are the key properties of 2-propylguanidine;sulfuric acid?
2-propylguanidine;sulfuric acid has a molecular weight of 199.23 g/mol, XLogP of -0.98, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylguanidine;sulfuric acid is sourced from PubChem (CID 12725939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).