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

C13H26N4 — CID 55063677

IUPAC1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-(2-methylpropyl)guanidine
SMILESCC(C)C/N=C(\N)NC1CCN2CCCCC12
InChIInChI=1S/C13H26N4/c1-10(2)9-15-13(14)16-11-6-8-17-7-4-3-5-12(11)17/h10-12H,3-9H2,1-2H3,(H3,14,15,16)
InChIKeyPWCHNAAAIQKZPJ-UHFFFAOYSA-N
MW238.38 g/mol
LogP1.17
Rot. Bonds3

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

1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-(2-methylpropyl)guanidine (PubChem CID 55063677) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-(2-methylpropyl)guanidine
PubChem CID55063677
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-(2-methylpropyl)guanidine
SMILESCC(C)C/N=C(\N)NC1CCN2CCCCC12
InChIInChI=1S/C13H26N4/c1-10(2)9-15-13(14)16-11-6-8-17-7-4-3-5-12(11)17/h10-12H,3-9H2,1-2H3,(H3,14,15,16)
InChIKeyPWCHNAAAIQKZPJ-UHFFFAOYSA-N
XLogP1.17
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 51.17
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'}

Analyze 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-(2-methylpropyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-(2-methylpropyl)guanidine?
The IUPAC name of 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-(2-methylpropyl)guanidine (CID 55063677) is 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-(2-methylpropyl)guanidine.
What is the SMILES notation for 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-(2-methylpropyl)guanidine?
The canonical SMILES for 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-(2-methylpropyl)guanidine is CC(C)C/N=C(\N)NC1CCN2CCCCC12.
What is the InChIKey of 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-(2-methylpropyl)guanidine?
The InChIKey is PWCHNAAAIQKZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-10(2)9-15-13(14)16-11-6-8-17-7-4-3-5-12(11)17/h10-12H,3-9H2,1-2H3,(H3,14,15,16).
What are the key properties of 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-(2-methylpropyl)guanidine?
1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-(2-methylpropyl)guanidine has a molecular weight of 238.38 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-(2-methylpropyl)guanidine is sourced from PubChem (CID 55063677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).