2-(2-cyclopentylethyl)guanidine;sulfuric acid

C8H19N3O4S — CID 70610443

IUPAC2-(2-cyclopentylethyl)guanidine;sulfuric acid
SMILESNC(N)=NCCC1CCCC1.O=S(=O)(O)O
InChIInChI=1S/C8H17N3.H2O4S/c9-8(10)11-6-5-7-3-1-2-4-7;1-5(2,3)4/h7H,1-6H2,(H4,9,10,11);(H2,1,2,3,4)
InChIKeyMIKPFDOLSHYPBL-UHFFFAOYSA-N
MW253.32 g/mol
LogP0.19
Rot. Bonds3

About 2-(2-cyclopentylethyl)guanidine;sulfuric acid

2-(2-cyclopentylethyl)guanidine;sulfuric acid (PubChem CID 70610443) has the molecular formula C8H19N3O4S and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-(2-cyclopentylethyl)guanidine;sulfuric acid.

Molecular Properties

Compound Name2-(2-cyclopentylethyl)guanidine;sulfuric acid
PubChem CID70610443
Molecular FormulaC8H19N3O4S
Molecular Weight253.32 g/mol
Exact Mass253.11
IUPAC Name2-(2-cyclopentylethyl)guanidine;sulfuric acid
SMILESNC(N)=NCCC1CCCC1.O=S(=O)(O)O
InChIInChI=1S/C8H17N3.H2O4S/c9-8(10)11-6-5-7-3-1-2-4-7;1-5(2,3)4/h7H,1-6H2,(H4,9,10,11);(H2,1,2,3,4)
InChIKeyMIKPFDOLSHYPBL-UHFFFAOYSA-N
XLogP0.19
TPSA139.00 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 50.19
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentylethyl)guanidine;sulfuric acid?
The IUPAC name of 2-(2-cyclopentylethyl)guanidine;sulfuric acid (CID 70610443) is 2-(2-cyclopentylethyl)guanidine;sulfuric acid.
What is the SMILES notation for 2-(2-cyclopentylethyl)guanidine;sulfuric acid?
The canonical SMILES for 2-(2-cyclopentylethyl)guanidine;sulfuric acid is NC(N)=NCCC1CCCC1.O=S(=O)(O)O.
What is the InChIKey of 2-(2-cyclopentylethyl)guanidine;sulfuric acid?
The InChIKey is MIKPFDOLSHYPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3.H2O4S/c9-8(10)11-6-5-7-3-1-2-4-7;1-5(2,3)4/h7H,1-6H2,(H4,9,10,11);(H2,1,2,3,4).
What are the key properties of 2-(2-cyclopentylethyl)guanidine;sulfuric acid?
2-(2-cyclopentylethyl)guanidine;sulfuric acid has a molecular weight of 253.32 g/mol, XLogP of 0.19, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentylethyl)guanidine;sulfuric acid is sourced from PubChem (CID 70610443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).