2-(1-cyclohexylazetidin-3-yl)guanidine;sulfuric acid

C10H22N4O4S — CID 23620223

IUPAC2-(1-cyclohexylazetidin-3-yl)guanidine;sulfuric acid
SMILESNC(N)=NC1CN(C2CCCCC2)C1.O=S(=O)(O)O
InChIInChI=1S/C10H20N4.H2O4S/c11-10(12)13-8-6-14(7-8)9-4-2-1-3-5-9;1-5(2,3)4/h8-9H,1-7H2,(H4,11,12,13);(H2,1,2,3,4)
InChIKeyJYCRJRBROYXADG-UHFFFAOYSA-N
MW294.38 g/mol
LogP-0.38
Rot. Bonds2

About 2-(1-cyclohexylazetidin-3-yl)guanidine;sulfuric acid

2-(1-cyclohexylazetidin-3-yl)guanidine;sulfuric acid (PubChem CID 23620223) has the molecular formula C10H22N4O4S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-(1-cyclohexylazetidin-3-yl)guanidine;sulfuric acid.

Molecular Properties

Compound Name2-(1-cyclohexylazetidin-3-yl)guanidine;sulfuric acid
PubChem CID23620223
Molecular FormulaC10H22N4O4S
Molecular Weight294.38 g/mol
Exact Mass294.14
IUPAC Name2-(1-cyclohexylazetidin-3-yl)guanidine;sulfuric acid
SMILESNC(N)=NC1CN(C2CCCCC2)C1.O=S(=O)(O)O
InChIInChI=1S/C10H20N4.H2O4S/c11-10(12)13-8-6-14(7-8)9-4-2-1-3-5-9;1-5(2,3)4/h8-9H,1-7H2,(H4,11,12,13);(H2,1,2,3,4)
InChIKeyJYCRJRBROYXADG-UHFFFAOYSA-N
XLogP-0.38
TPSA142.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 5-0.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-(1-cyclohexylazetidin-3-yl)guanidine;sulfuric acid?
The IUPAC name of 2-(1-cyclohexylazetidin-3-yl)guanidine;sulfuric acid (CID 23620223) is 2-(1-cyclohexylazetidin-3-yl)guanidine;sulfuric acid.
What is the SMILES notation for 2-(1-cyclohexylazetidin-3-yl)guanidine;sulfuric acid?
The canonical SMILES for 2-(1-cyclohexylazetidin-3-yl)guanidine;sulfuric acid is NC(N)=NC1CN(C2CCCCC2)C1.O=S(=O)(O)O.
What is the InChIKey of 2-(1-cyclohexylazetidin-3-yl)guanidine;sulfuric acid?
The InChIKey is JYCRJRBROYXADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4.H2O4S/c11-10(12)13-8-6-14(7-8)9-4-2-1-3-5-9;1-5(2,3)4/h8-9H,1-7H2,(H4,11,12,13);(H2,1,2,3,4).
What are the key properties of 2-(1-cyclohexylazetidin-3-yl)guanidine;sulfuric acid?
2-(1-cyclohexylazetidin-3-yl)guanidine;sulfuric acid has a molecular weight of 294.38 g/mol, XLogP of -0.38, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylazetidin-3-yl)guanidine;sulfuric acid is sourced from PubChem (CID 23620223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).