2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-phenylguanidine

C14H20N4 — CID 62369893

IUPAC2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-phenylguanidine
SMILESN/C(=N\C1CCN2CCCC12)Nc1ccccc1
InChIInChI=1S/C14H20N4/c15-14(16-11-5-2-1-3-6-11)17-12-8-10-18-9-4-7-13(12)18/h1-3,5-6,12-13H,4,7-10H2,(H3,15,16,17)
InChIKeyAFZIZFIXYUHWLN-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.65
Rot. Bonds2

About 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-phenylguanidine

2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-phenylguanidine (PubChem CID 62369893) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-phenylguanidine.

Molecular Properties

Compound Name2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-phenylguanidine
PubChem CID62369893
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-phenylguanidine
SMILESN/C(=N\C1CCN2CCCC12)Nc1ccccc1
InChIInChI=1S/C14H20N4/c15-14(16-11-5-2-1-3-6-11)17-12-8-10-18-9-4-7-13(12)18/h1-3,5-6,12-13H,4,7-10H2,(H3,15,16,17)
InChIKeyAFZIZFIXYUHWLN-UHFFFAOYSA-N
XLogP1.65
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.65
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 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-phenylguanidine 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 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-phenylguanidine?
The IUPAC name of 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-phenylguanidine (CID 62369893) is 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-phenylguanidine.
What is the SMILES notation for 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-phenylguanidine?
The canonical SMILES for 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-phenylguanidine is N/C(=N\C1CCN2CCCC12)Nc1ccccc1.
What is the InChIKey of 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-phenylguanidine?
The InChIKey is AFZIZFIXYUHWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c15-14(16-11-5-2-1-3-6-11)17-12-8-10-18-9-4-7-13(12)18/h1-3,5-6,12-13H,4,7-10H2,(H3,15,16,17).
What are the key properties of 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-phenylguanidine?
2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-phenylguanidine has a molecular weight of 244.34 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-phenylguanidine is sourced from PubChem (CID 62369893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).