2-(4-aminobutyl)guanidine;sulfuric acid

C5H16N4O4S — CID 2794990

IUPAC2-(4-aminobutyl)guanidine;sulfuric acid
SMILESNCCCCN=C(N)N.O=S(=O)(O)O
InChIInChI=1S/C5H14N4.H2O4S/c6-3-1-2-4-9-5(7)8;1-5(2,3)4/h1-4,6H2,(H4,7,8,9);(H2,1,2,3,4)
InChIKeyPTAYFGHRDOMJGC-UHFFFAOYSA-N
MW228.27 g/mol
LogP-1.65
Rot. Bonds4

About 2-(4-aminobutyl)guanidine;sulfuric acid

2-(4-aminobutyl)guanidine;sulfuric acid (PubChem CID 2794990) has the molecular formula C5H16N4O4S and a molecular weight of 228.27 g/mol. Its IUPAC name is 2-(4-aminobutyl)guanidine;sulfuric acid.

Molecular Properties

Compound Name2-(4-aminobutyl)guanidine;sulfuric acid
PubChem CID2794990
Molecular FormulaC5H16N4O4S
Molecular Weight228.27 g/mol
Exact Mass228.09
IUPAC Name2-(4-aminobutyl)guanidine;sulfuric acid
SMILESNCCCCN=C(N)N.O=S(=O)(O)O
InChIInChI=1S/C5H14N4.H2O4S/c6-3-1-2-4-9-5(7)8;1-5(2,3)4/h1-4,6H2,(H4,7,8,9);(H2,1,2,3,4)
InChIKeyPTAYFGHRDOMJGC-UHFFFAOYSA-N
XLogP-1.65
TPSA165.02 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 5-1.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(4-aminobutyl)guanidine
CID 22560045
acetic acid;2-(22-aminodocosyl)guanidine
CID 172684363
2-amino-5-(diaminomethylideneamino)pentanoic acid;2,6-diaminohexanoic acid;methanesulfonic acid
CID 121440262
2-propylguanidine;sulfuric acid
CID 12725939
(2R)-2-amino-6-(diaminomethylideneamino)hexanoic acid;sulfuric acid
CID 139024984
2-[2-[2-(diaminomethylideneamino)ethyldisulfanyl]ethyl]guanidine;sulfuric acid
CID 42614789
[[N'-(6-aminohexyl)carbamimidoyl]amino] methanesulfonate
CID 142675553
2-(4-aminobutyl)guanidine;(3S,4R,5S)-1,3,4,5,6-pentahydroxyhexan-2-one
CID 118238847
(Z)-N'-[4-(3-aminopropylamino)butyl]-N-[6-(diaminomethylideneamino)hexyl]but-2-enediamide
CID 10667690
2-(4-iodobutyl)guanidine
CID 155000477
2-amino-5-(diaminomethylideneamino)pentanoic acid;N'-(3-aminopropyl)butane-1,4-diamine;N,N'-bis(3-aminopropyl)butane-1,4-diamine;butane-1,4-diamine
CID 173317858
6-amino-N-fluoro-N-methylhexanamide;5-(diaminomethylideneamino)pentanoic acid
CID 144969972

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobutyl)guanidine;sulfuric acid?
The IUPAC name of 2-(4-aminobutyl)guanidine;sulfuric acid (CID 2794990) is 2-(4-aminobutyl)guanidine;sulfuric acid.
What is the SMILES notation for 2-(4-aminobutyl)guanidine;sulfuric acid?
The canonical SMILES for 2-(4-aminobutyl)guanidine;sulfuric acid is NCCCCN=C(N)N.O=S(=O)(O)O.
What is the InChIKey of 2-(4-aminobutyl)guanidine;sulfuric acid?
The InChIKey is PTAYFGHRDOMJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N4.H2O4S/c6-3-1-2-4-9-5(7)8;1-5(2,3)4/h1-4,6H2,(H4,7,8,9);(H2,1,2,3,4).
What are the key properties of 2-(4-aminobutyl)guanidine;sulfuric acid?
2-(4-aminobutyl)guanidine;sulfuric acid has a molecular weight of 228.27 g/mol, XLogP of -1.65, 4 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobutyl)guanidine;sulfuric acid is sourced from PubChem (CID 2794990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).