2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)guanidine

C9H18N4 — CID 78989940

IUPAC2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)guanidine
SMILESNC(N)=NC1CCN2CCCC2C1
InChIInChI=1S/C9H18N4/c10-9(11)12-7-3-5-13-4-1-2-8(13)6-7/h7-8H,1-6H2,(H4,10,11,12)
InChIKeyVNXAIMZRDDWTKS-UHFFFAOYSA-N
MW182.27 g/mol
LogP-0.11
Rot. Bonds1

About 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)guanidine

2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)guanidine (PubChem CID 78989940) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)guanidine.

Molecular Properties

Compound Name2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)guanidine
PubChem CID78989940
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)guanidine
SMILESNC(N)=NC1CCN2CCCC2C1
InChIInChI=1S/C9H18N4/c10-9(11)12-7-3-5-13-4-1-2-8(13)6-7/h7-8H,1-6H2,(H4,10,11,12)
InChIKeyVNXAIMZRDDWTKS-UHFFFAOYSA-N
XLogP-0.11
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)guanidine?
The IUPAC name of 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)guanidine (CID 78989940) is 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)guanidine.
What is the SMILES notation for 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)guanidine?
The canonical SMILES for 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)guanidine is NC(N)=NC1CCN2CCCC2C1.
What is the InChIKey of 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)guanidine?
The InChIKey is VNXAIMZRDDWTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c10-9(11)12-7-3-5-13-4-1-2-8(13)6-7/h7-8H,1-6H2,(H4,10,11,12).
What are the key properties of 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)guanidine?
2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)guanidine has a molecular weight of 182.27 g/mol, XLogP of -0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)guanidine is sourced from PubChem (CID 78989940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).